N-Boc-2-methyl-1,3-propanediamine - CAS 480452-05-9

Catalog:	BB026484
Product Name:	N-Boc-2-methyl-1,3-propanediamine
CAS:	480452-05-9
Synonyms:	N-(3-amino-2-methylpropyl)carbamic acid tert-butyl ester; tert-butyl N-(3-amino-2-methylpropyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(3-amino-2-methylpropyl)carbamate
Description:	N-Boc-2-methyl-1,3-propanediamine (CAS# 480452-05-9) is a useful research chemical.
Molecular Weight:	188.27
Molecular Formula:	C9H20N2O2
Canonical SMILES:	CC(CN)CNC(=O)OC(C)(C)C
InChI:	InChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChI Key:	ORDMEFMUSKDHOL-UHFFFAOYSA-N
Boiling Point:	282.585 °C at 760 mmHg
Density:	0.98 g/cm³
Appearance:	Colorless clear liquid
LogP:	2.19710

Publication Number	Title	Priority Date
US-2020231584-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
US-2020291041-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
WO-2020150473-A2	Pcsk9 inhibitors and methods of use thereof	20190118
WO-2020150474-A1	Pcsk9 inhibitors and methods of use thereof	20190118
KR-20210116548-A	PCSK9 inhibitors and methods of use thereof	20190118

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.152477885
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.152477885
Rotatable Bond Count:	5
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8