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1-Benzylimidazole

1-Benzylimidazole structure

CAS No:
4238-71-5
Formula:
C10H10N2
Chemical Name:
1-Benzylimidazole
Synonyms:
1H-Imidazole,1-(phenylmethyl)-;Imidazole,1-benzyl-;1-(Phenylmethyl)-1H-imidazole;1-Benzylimidazole;N-Benzylimidazole;1-Benzyl-1H-imidazole;CDD 3500;NSC 126828;NSC 217337;114783-66-3;546113-13-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

BROWNISH CRYSTALS

1-benzylimidazole, an N-imidazole derivative, has been shown to have strong cardiotonic activity.

1-Benzylimidazole Basic Attributes

Molecular Weight：

158.2

Exact Mass：

158.20

BRN：

114571

EC Number：

224-200-4

UNII：

W4C9Z5BCV7

NSC Number：

126828|217337

DSSTox ID：

DTXSID60195183

HScode：

29332900

Characteristics

PSA：

17.8

XLogP3：

1.6

Appearance：

Brownish Crystals

Density：

1.0±0.1 g/cm3

Melting Point：

68-70 °C

Boiling Point：

310 °C

Flash Point：

141.3±19.3 °C

Refractive Index：

1.580

Water Solubility：

H2O: insoluble

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

PKA：

6.7None

Dissociation Constants：

6.7

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)

MeSH Entry Terms：

1-benzylimidazole

Computed Properties

Molecular Weight:158.20
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:158.084398327
Monoisotopic Mass:158.084398327
Topological Polar Surface Area:17.8
Heavy Atom Count:12
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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