DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)alanine ethyl ester
Basic information
- CAS
77386-88-0- Standard SMILES
CCOC(=O)C(C)NC(=O)c1ccc(N=NN(C)C)cc1- InChIKey
LBACCVJSWBPECH-JTQLQIEISA-N- Molecular formula
- C14H20N4O3
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.15354051
Names & identifiers
- Preferred name
- DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)alanine ethyl ester
- IUPAC
- ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
- English name
- DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)alanine ethyl ester
- Molecular formula
- C14H20N4O3
- Molecular weight
- 292.33
Names & synonyms
DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)alanine ethyl ester77386-88-0ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoateALANINE, N-(p-(3,3-DIMETHYLTRIAZENO)BENZOYL)-, ETHYL ESTER, DL-Alanine, N-[4-(3,3-dimethyl-1-triazenyl)benzoyl]-, ethyl ester (9CI)
Database identifiers
- CAS
77386-88-0- PubChem CID
- 53659
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 13.32 · 13.32±0.46(Predicted)
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Compound notes
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