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

Name: 3-Amino-3-(4-chlorophenyl)-1-propanol
Brand: BOC Sciences
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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

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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

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Related Functional Groups

Alcohols and Derivatives

[58287-18-6]C8H9NO3
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[1946823-77-3]C7H9F3N2O
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[112256-09-4]C8H12O
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[2006278-33-5]C16H16O2
2-(6-Methoxy-2-naphthyl)-4-pentyn-2-ol
[1183749-69-0]C10H8N2O2
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[6712-35-2]C11H12O
2-Phenyl-4-pentyn-2-ol

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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

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

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