4-(1-Pyrrolidinyl)aniline Hydrochloride - CAS 216670-47-2

Catalog:	BB017057
Product Name:	4-(1-Pyrrolidinyl)aniline Hydrochloride
CAS:	216670-47-2
Synonyms:	4-(1-pyrrolidinyl)aniline;hydrochloride; 4-pyrrolidin-1-ylaniline;hydrochloride

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Computed Properties

IUPAC Name:	4-pyrrolidin-1-ylaniline;hydrochloride
Description:	4-(1-Pyrrolidinyl)aniline Hydrochloride (CAS# 216670-47-2) is a useful research chemical.
Molecular Weight:	198.69
Molecular Formula:	C10H15ClN2
Canonical SMILES:	C1CCN(C1)C2=CC=C(C=C2)N.Cl
InChI:	InChI=1S/C10H14N2.ClH/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;/h3-6H,1-2,7-8,11H2;1H
InChI Key:	CKZKSFMNJXRVNG-UHFFFAOYSA-N
LogP:	3.31720

Publication Number	Title	Priority Date
CN-101945640-A	The azomethine direct dyes that obtains from 2-chloro-3-amino-6-methylphenol or the reduction precursor of these dyestuffs and the hair colouring methods that begins from these dyestuffs or precursor	20071214

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0923762
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	198.0923762
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0