Dipropylamine
PubChem CID: 8902
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| Compound Synonyms | DIPROPYLAMINE, 142-84-7, Di-n-propylamine, 1-Propanamine, N-propyl-, n-Dipropylamine, N-propylpropan-1-amine, N-Propyl-1-propanamine, RCRA waste number U110, CCRIS 4805, HSDB 2644, di(n-propyl)amine, EINECS 205-565-9, N,N-Dipropylamine, UN2383, BRN 0505974, 60P318IIRY, DIPROPYL-AMINE, DTXSID2025185, AI3-24037, DIPROPYLAMINE [HSDB], N-DIPROPYLAMINE [MI], DTXCID105185, EC 205-565-9, dipropyl amine, RCRA waste no. U110, UNII-60P318IIRY, NDipropylamine, di-propylamine, di-n-propyl amine, NPropyl1propanamine, N-propyl propylamine, N-propyl-propylamine, MFCD00009362, DIPROPANAMINE, Dipropylamine, 99%, N,N-Dipropylamine #, 1Propanamine, Npropyl, N,N-di-n-propylamine, propane, 1-propylamino-, SCHEMBL15445, (n-C3H7)2NH, CHEMBL3185961, STR03559, Tox21_202085, BBL027756, STL194269, AKOS000118843, UN 2383, NCGC00249163-01, NCGC00259634-01, CAS-142-84-7, D0930, NS00001033, Dipropylamine [UN2383] [Flammable liquid], EN300-19590, Q410621, F2190-0303, InChI=1/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H, 205-565-9 |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Description | Di-n-propylamine is a member of the class of compounds known as dialkylamines. Dialkylamines are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. Di-n-propylamine is soluble (in water) and a very strong basic compound (based on its pKa). Di-n-propylamine can be found in a number of food items such as wild celery, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes di-n-propylamine a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 23.4 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-propylpropan-1-amine |
| Prediction Hob | 1.0 |
| Class | Organonitrogen compounds |
| Xlogp | 1.7 |
| Superclass | Organic nitrogen compounds |
| Subclass | Amines |
| Molecular Formula | C6H15N |
| Prediction Swissadme | 0.0 |
| Inchi Key | WEHWNAOGRSTTBQ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 4.0 |
| State | liquid |
| Synonyms | (n-C3H7)2NH, 1-Propanamine, N-propyl-, Di-n-propylamine, Dipropyl-amine, Dipropylamine, Dipropylamine [UN2383] [Flammable liquid], DNPA, N-dipropylamine, N-Propyl-1-propanamine, N-propyl-propylamine, N-propylpropan-1-amine, N,n-dipropylamine |
| Compound Name | Dipropylamine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 101.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 101.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 101.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -1.2554966 |
| Inchi | InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3 |
| Smiles | CCCNCCC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dialkylamines |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all