1-Propyl-1H-benzoimidazol-2-ylamine - CAS 57667-50-2

Catalog:	BB047163
Product Name:	1-Propyl-1H-benzoimidazol-2-ylamine
CAS:	57667-50-2
Synonyms:	1-propyl-1H-benzo[d]imidazol-2-amine; 1-propyl-1H-benzimidazol-2-amine; 1H-Benzimidazol-2-amine, 1-propyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-propylbenzimidazol-2-amine
Description:	1-Propyl-1H-benzoimidazol-2-ylamine (CAS# 57667-50-2 ) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C10H13N3
Canonical SMILES:	CCCN1C2=CC=CC=C2N=C1N
InChI:	InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)
InChI Key:	MGKUHRRJQCKXOW-UHFFFAOYSA-N
Boiling Point:	349.7 °C at 760 mmHg
Melting Point:	132-133 °C
Density:	1.18 g/cm³

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Related Functional Groups

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Benzimidazoles

[63503-83-3]
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[38385-95-4]
2-(4-Piperidyl)-1H-benzoimidazole
[14741-71-0]
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[61981-79-1]
2-Methyl-1H-benzimidazole-1-ethanamine

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.110947427
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.110947427
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8