DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)glutamic acid diethyl ester

HCID 98129

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Basic information

CAS: 34136-23-7
Standard SMILES: CCOC(=O)CCC(NC(=O)c1ccc(N=NN(C)C)cc1)C(=O)OCC
InChIKey: IYVTUPFXQIVMAI-UHFFFAOYSA-N
Molecular formula: C18H26N4O5
Average molar mass: 378.4 g/mol
Monoisotopic mass: 378.19031994

Names & identifiers

Preferred name: DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)glutamic acid diethyl ester
IUPAC: diethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]pentanedioate

Names & synonyms

NSC 8034334136-24-834136-23-7NSC74252BRN 4021233diethyl n-{4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]benzoyl}glutamateDL-N-(p-(3,3-Dimethyltriazeno)benzoyl)glutamic acid diethyl esterDTXSID40275937NSC80343NSC-74252NSC-80343Glutamic acid, N-(p-(3,3-dimethyltriazeno)benzoyl)-, diethyl ester, DL-

Database identifiers

CAS: 34136-23-7、34136-24-8
PubChem CID: 98129
DTXSID: DTXSID40275937

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 110 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 27
Formal charge: 0
Complexity: 516

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