3-Amino-3-methyl-1-butanol - CAS 42514-50-1

Catalog:	BB025146
Product Name:	3-Amino-3-methyl-1-butanol
CAS:	42514-50-1
Synonyms:	3-amino-3-methyl-1-butanol; 3-amino-3-methylbutan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-amino-3-methylbutan-1-ol
Description:	3-Amino-3-methyl-1-butanol (CAS# 42514-50-1) is a useful research chemical.
Molecular Weight:	103.16
Molecular Formula:	C5H13NO
Canonical SMILES:	CC(C)(CCO)N
InChI:	InChI=1S/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H3
InChI Key:	PHRHXTTZZWUGNN-UHFFFAOYSA-N
Boiling Point:	179.2 °C at 760 mmHg
Density:	0.918 g/cm³
Appearance:	Liquid
MDL:	MFCD09032902
LogP:	0.80640

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GHS Hazard Statement:	H302 (98.86%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	52
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.099714038
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	103.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4