2,2-Dimethyl-1-phenylpropan-1-amine - CAS 61501-04-0

Catalog:	BB031151
Product Name:	2,2-Dimethyl-1-phenylpropan-1-amine
CAS:	61501-04-0
Synonyms:	2,2-dimethyl-1-phenyl-1-propanamine; 2,2-dimethyl-1-phenylpropan-1-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2-dimethyl-1-phenylpropan-1-amine
Description:	2,2-Dimethyl-1-phenylpropan-1-amine (CAS# 61501-04-0) is a useful research chemical.
Molecular Weight:	163.26
Molecular Formula:	C11H17N
Canonical SMILES:	CC(C)(C)C(C1=CC=CC=C1)N
InChI:	InChI=1S/C11H17N/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8,10H,12H2,1-3H3
InChI Key:	INGIGRKEXZOVTB-UHFFFAOYSA-N
Boiling Point:	231.2 °C at 760 mmHg
Density:	0.926 g/cm³
Appearance:	Liquid
MDL:	MFCD00267378
LogP:	3.43280

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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:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.136099547
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.136099547
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5