3-Amino-4-methyl-1-pentanol - CAS 4379-15-1

Catalog:	BB025463
Product Name:	3-Amino-4-methyl-1-pentanol
CAS:	4379-15-1
Synonyms:	3-amino-4-methyl-1-pentanol; 3-amino-4-methylpentan-1-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-amino-4-methylpentan-1-ol
Description:	3-Amino-4-methyl-1-pentanol (CAS# 4379-15-1) is a useful research chemical.
Molecular Weight:	117.19
Molecular Formula:	C6H15NO
Canonical SMILES:	CC(C)C(CCO)N
InChI:	InChI=1S/C6H15NO/c1-5(2)6(7)3-4-8/h5-6,8H,3-4,7H2,1-2H3
InChI Key:	ZAQOIAYHBXCGIO-UHFFFAOYSA-N
Boiling Point:	199.3 °C at 760 mmHg
Density:	0.904 g/cm³
LogP:	1.05240

Publication Number	Title	Priority Date
WO-2020101977-A1	Lipid ether amine compounds for topical treatment of cutaneous disease	20181113
WO-2020022892-A1	Tubulysin derivatives and methods for preparing the same	20180724
EP-3685943-A1	Method for producing silver nanoparticles	20171027
CA-3070013-A1	Substituted pyrrolopyridine-derivatives	20170718
EP-3655406-A1	Substituted pyrrolopyridine-derivatives	20170718

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	54.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	117.115364102
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	117.115364102
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4