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Benzamidine

Benzamidine structure

CAS No:
618-39-3
Formula:
C7H8N2
Chemical Name:
Benzamidine
Synonyms:
Benzenecarboximidamide;Benzamidine;Benzenylamidine;Phenylamidine;NSC 243704
Categories:
Chemical Reagents > Organic Reagents

Description

Benzamidine is a carboxamidine that is benzene carrying an amidino group. It has a role as a serine protease inhibitor. It is a member of benzenes and a carboxamidine. It derives from a benzoic acid.

Benzamidine Basic Attributes

Molecular Weight：

120.15

Exact Mass：

120.15

EC Number：

210-546-3

UNII：

KUE3ZY3J1F

NSC Number：

243704

DSSTox ID：

DTXSID8045012

HScode：

29299000

Characteristics

PSA：

49.9

XLogP3：

0.7

Density：

1.1±0.1 g/cm3

Melting Point：

78-80 °C

Flash Point：

79.9±22.6 °C

Refractive Index：

1.570

Water Solubility：

>18 [ug/mL]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 246 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)

MeSH Entry Terms：

benzamidine

Computed Properties

Molecular Weight:120.15
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:120.068748264
Monoisotopic Mass:120.068748264
Topological Polar Surface Area:49.9
Heavy Atom Count:9
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes