(4-sec-Butoxybenzyl)amine Hydrochloride - CAS 37806-46-5

Catalog:	BB057765
Product Name:	(4-sec-Butoxybenzyl)amine Hydrochloride
CAS:	37806-46-5
Synonyms:	[4-(sec-Butoxy)phenyl]methanamine Hydrochloride;4-(1-Methylpropoxy)-benzenemethanamine Hydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-butan-2-yloxyphenyl)methanaminehydrochloride
Description:	(4-sec-butoxybenzyl)amine hydrochloride (cas# 37806-46-5) is a useful research chemical.
Molecular Weight:	179.26 + 36.46
Molecular Formula:	C11H17NO·HCl
Canonical SMILES:	CCC(C)OC1=CC=C(C=C1)CN.Cl
InChI:	InChI=1S/C11H17NO.ClH/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h4-7,9H,3,8,12H2,1-2H31H
InChI Key:	YVTXQHWYGLPEMR-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.1076919
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.1076919
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0