1-Amino-2-propanol
PubChem CID: 4
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| Compound Synonyms | 1-Aminopropan-2-ol, 78-96-6, 1-AMINO-2-PROPANOL, Isopropanolamine, Amino-2-propanol, Monoisopropanolamine, Threamine, 2-Hydroxypropylamine, 2-Propanol, 1-amino-, DL-1-Amino-2-propanol, Mipa, 1-Methyl-2-aminoethanol, 2-Hydroxypropanamine, 2-Amino-1-methylethanol, 1-Amino-2-hydroxypropane, 2-Hydroxy-1-propylamine, Mono-iso-propanolamine, alpha-Aminoisopropyl alcohol, (+/-)-1-Amino-2-propanol, 1-amino-propan-2-ol, CCRIS 2284, 2-Hydroxy-1-propanamine, HSDB 5224, beta-Aminoisopropanol, (RS)-1-amino-2-propanol, NSC 3188, AI3-14653, .alpha.-Aminoisopropyl alcohol, (RS)-1-Amino-2-hydroxypropane, (+/-)-Isopropanolamine, UE40BY1BZW, EINECS 201-162-7, MFCD00008139, BRN 0605275, DTXSID9021764, CHEBI:19030, D-1-amino-2-propanol, D-1-aminopropan-2-ol, NSC-3188, (2-HYDROXY-2-METHYLETHYL)AMINE, DTXCID901764, FEMA NO. 3965, EC 201-162-7, 4-04-00-01665 (Beilstein Handbook Reference), DL-Isopropanolamine, 1-AMINO-2-PROPANOL [FHFI], 1-AMINO-2-PROPANOL [HSDB], 2-Propanol, 1-amino- (8CI,9CI), 1674-56-2, 2-Propanol, 1-amino-, (.+/-.)-, (R)-(-)-Isopropanolamine, (S)-(+)-Isopropanolamine, UNII-UE40BY1BZW, 2-Propanol, 1-amino-, (R)-, 2-Propanol, 1-amino-, (S)-, 1Aminopropan2ol, Aminopropan-2-ol, 2hydroxypropylamine, 2Hydroxypropanamine, 2Propanol, 1amino, 1Methyl2aminoethanol, 2Amino1methylethanol, 2Hydroxy1propylamine, 1-amino-2 propanol, 1Amino2hydroxypropane, 3-amino-2-propanol, 3-aminopropan-2-ol, 2-hydroxy-propylamine, 2-hydroxypropyl-amine, 1-Aminoisopropylalcohol, 1-Aminopropanol-(2), 1-amino-propane-2-ol, 1-Amin-iso-proylalcohol, rac-1-amino-2-propanol, 2-hydroxy-1-aminopropane, alphaAminoisopropyl alcohol, 2-Hydroxy-1-methylethanol, Amino-2-propanol, 93%, bmse000305, (rac)-1-amino-2-propanol, racemic 1-amino-2-propanol, 1-amino-2(R,S)-propanol, WLN: Z1YQ1, (2rs)-1-amino-2-propanol, 1-amino-2-Hydroxypropanamine, (2RS) 1-amino-2-propanol, 2-hydroxy-2-methyl-ethylamine, propane, 1-amino-2-hydroxy-, ISOPROPANOLAMINE [INCI], CHEMBL326602, 1-Aminopropan-2-ol (Standard), NSC3188, (.+/-.)-1-Amino-2-propanol, BCP08083, HY-W015969R, Tox21_301704, BBL027685, DL-1-Amino-2-propanol, >=90%, STL308732, AKOS000120495, AKOS016042334, CS-W016685, HY-W015969, SB44651, SB44696, SB83757, CAS-78-96-6, NCGC00257540-01, 1-AMINO-2-PROPANOL, (+/-)-, SY002691, DB-013106, A0406, A1229, A5358, NS00007157, EN300-20160, C05771, G75932, (+/-)-1-Amino-2-propanol, analytical standard, Q161580, F2190-0369, Z104477092, (?)-1-Amino-2-propanol, 94%, remainder 2-amino-1-propanol, 201-162-7 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 5.0 |
| Description | 1-Amino-2-propanol is a secondary amino alcohol. It can be prepared by the addition of aqueous ammonia to propylene oxide. It is an intermediate in the synthesis of a variety of pharmaceutical drugs and is the very basic building block of the opioid, methadone. It can be synthesized via Eschweiler-Clarke.(Wiki) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 22.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-aminopropan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C3H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXKKHQJGJAFBHI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.878 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -1.874 |
| Synonyms | (+/-)-1-Amino-2-propanol, (+/-)-isopropanolamine, (R)-(-)-1-Amino-2-propanol, (R)-(-)-1-Aminopropan-2-ol, (R)-1-aminopropan-2-ol, (RS)-1-Amino-2-hydroxypropane, (RS)-1-amino-2-propanol, (S)-(+)-1-Amino-2-propanol, (S)-(+)-1-Aminopropan-2-ol, &alpha, -aminoisopropyl alcohol, 1-amino-2-Hydroxypropanamine, 1-Amino-2-hydroxypropane, 1-Amino-propan-2-ol, 1-Aminoisopropylalcohol, 1-Aminopropan-2-ol, 1-Aminopropanol-(2), 1-Methyl-2-aminoethanol, 2-Amino-1-methylethanol, 2-Hydroxy-1-propanamine, 2-Hydroxy-1-propylamine, 2-Hydroxypropanamine, 2-Hydroxypropylamine, 2-Propanol, 2-Propanol, 1-amino-, 2-Propanol, 1-amino- (8CI,9CI), 2-Propanol, 1-amino-, (.+/-.)-, 2-Propanol, 1-amino-, (R)-, 2-Propanol, 1-amino-, (S)-, Alpha-aminoisopropyl alcohol, Amino-2-propanol, Aminopropanol, Beta-aminoisopropanol, CID4, D-1-amino-2-propanol, D-1-aminopropan-2-ol, DL-1-Amino-2-propanol, Isopropanolamine, Mipa, Mono-iso-propanolamine, Monoisopropanolamine, Threamine |
| Compound Name | 1-Amino-2-propanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 75.0684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 75.0684 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 75.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3651118000000001 |
| Inchi | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 |
| Smiles | CC(CN)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all