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4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate

4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate structure

CAS No:
21658-26-4
Formula:
C14H12N4O4
Chemical Name:
4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate
Synonyms:
Benzoic acid,4-[(aminoiminomethyl)amino]-,4-nitrophenyl ester;Benzoic acid,p-guanidino-,p-nitrophenyl ester;4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate;Nitrophenyl p-guanidinobenzoate;p-Nitrophenyl p-guanidinobenzoate;4′-Nitrophenyl 4-guanidinobenzoate;4-Nitrophenyl 4-guanidinobenzoate

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4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate Basic Attributes

Molecular Weight：

300.27

Exact Mass：

300.27

DSSTox ID：

DTXSID90176041

Characteristics

PSA：

137 Å²

Density：

1.2805

Melting Point：

228-231 °C

Boiling Point：

441.51°C (rough estimate)

Refractive Index：

1.6000 (estimate)

Toxicity：

mmo-sat 100 mg/plate MUREAV 67,81,79

PKA：

10.07±0.10

Drug Information

MeSH Entry Terms：

4-nitrophenyl 4'-guanidinobenzoate

Computed Properties

Molecular Weight:300.27
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:300.08585488
Monoisotopic Mass:300.08585488
Topological Polar Surface Area:137
Heavy Atom Count:22
Complexity:429
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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