N-Boc-cyclopropylamine - CAS 132844-48-5

Catalog:	BB007642
Product Name:	N-Boc-cyclopropylamine
CAS:	132844-48-5
Synonyms:	N-cyclopropylcarbamic acid tert-butyl ester; tert-butyl N-cyclopropylcarbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-cyclopropylcarbamate
Description:	N-Boc-cyclopropylamine (CAS# 132844-48-5) is a useful research chemical.
Molecular Weight:	157.21
Molecular Formula:	C8H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CC1
InChI:	InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)9-6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChI Key:	WFFGQLYKMWGXMU-UHFFFAOYSA-N
Boiling Point:	228.565 ℃ at 760 mmHg
Density:	1.017 g/cm³
Appearance:	White crystalline powder
Storage:	Sealed in dry, 2-8 ℃
MDL:	MFCD09701238
LogP:	2.06440

Publication Number	Title	Priority Date
WO-2021066559-A1	N-(1h-imidazol-2-yl)benzamide compound and pharmaceutical composition comprising the same as active ingredient	20191002
WO-2020156437-A1	Akt inhibitor	20190129
CN-113272304-A	AKT inhibitors	20190129
KR-20210120054-A	AKT inhibitors	20190129
WO-2020147582-A1	Amide derivative substituted by cycloalkyl, preparation method for amide derivative, and use in medicine	20190116

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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+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.110278721
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5