3-Amino-3-(4-chlorophenyl)-1-propanol - CAS 68208-26-4

Catalog:	BB033494
Product Name:	3-Amino-3-(4-chlorophenyl)-1-propanol
CAS:	68208-26-4
Synonyms:	3-amino-3-(4-chlorophenyl)-1-propanol; 3-amino-3-(4-chlorophenyl)propan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-amino-3-(4-chlorophenyl)propan-1-ol
Description:	3-Amino-3-(4-chlorophenyl)-1-propanol (CAS# 68208-26-4) is a useful reactant for the synthesis of meta-functionalized pyridines.
Molecular Weight:	185.65
Molecular Formula:	C9H12ClNO
Canonical SMILES:	C1=CC(=CC=C1C(CCO)N)Cl
InChI:	InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2
InChI Key:	JGNACDMQJLVKIU-UHFFFAOYSA-N
Boiling Point:	327.9 °C at 760 mmHg
Density:	1.216 g/cm³
MDL:	MFCD03412663
LogP:	2.42250

Publication Number	Title	Priority Date
CA-2961186-A1	Tricyclic derivative	20140918
JP-2017527606-A	Tricyclic derivatives	20140918
US-2016083400-A1	Tricyclic guanidine derivative	20140918
US-2017273985-A1	Tricyclic derivative	20140918
WO-2016042775-A1	Tricyclic derivative	20140918

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0607417
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0607417
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1