2-Aminobenzaldehyde
PubChem CID: 68255
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| Compound Synonyms | 2-Aminobenzaldehyde, 529-23-7, o-Aminobenzaldehyde, Anthranilaldehyde, Benzaldehyde, 2-amino-, 2-Formylaniline, 2-amino-benzaldehyde, EG769PG2AX, MFCD00007709, Ortho aminobenzaldehyde, EINECS 208-454-3, AI3-52264, DTXSID6060183, FXWFZIRWWNPPOV-UHFFFAOYSA-, aminobenzaldehyde, O-amino benzaldehyde, anthranil aldehyde, m-Amino benzaldehyde, aniline, 2-formyl-, UNII-EG769PG2AX, 2-ABA, SCHEMBL25505, 2-Aminobenzaldehyde, >=98%, ghl.PD_Mitscher_leg0.1278, DTXCID4041317, SCHEMBL14562109, BCP07330, BBL100092, STL280125, AKOS006221234, CS-W007486, FA71614, GS-3280, SY024955, DB-005184, NS00032615, EN300-118143, 10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N.1, doi:10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N.1, Q21099244, 2-Formylaniline, Anthranilaldehyde, o-Aminobenzaldehyde, Z3034936011 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | O=Ccccccc6N |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoyl derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-aminobenzaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | FXWFZIRWWNPPOV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-aminobenzaldehyde |
| Esol Class | Soluble |
| Functional Groups | cC=O, cN |
| Compound Name | 2-Aminobenzaldehyde |
| Exact Mass | 121.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 121.053 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 121.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 |
| Smiles | C1=CC=C(C(=C1)C=O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Nigra (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Reference:ISBN:9788171360536 - 3. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.999