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N-Boc-2-bromo-1-propanamine

N-Boc-2-bromo-1-propanamine - CAS 121102-88-3

Catalog:	BB005036
Product Name:	N-Boc-2-bromo-1-propanamine
CAS:	121102-88-3
Synonyms:	N-(2-bromopropyl)carbamic acid tert-butyl ester; tert-butyl N-(2-bromopropyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(2-bromopropyl)carbamate
Description:	N-Boc-2-bromo-1-propanamine (CAS# 121102-88-3) is a useful research chemical.
Molecular Weight:	238.12
Molecular Formula:	C8H16BrNO2
Canonical SMILES:	CC(CNC(=O)OC(C)(C)C)Br
InChI:	InChI=1S/C8H16BrNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChI Key:	KHFDEFLMWSUKAS-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.68540

Publication Number	Title	Priority Date
WO-2021060395-A1	Sustained-release pharmaceutical composition	20190925
WO-2019182015-A1	Alginic acid derivative bonded to nonsteroidal anti-inflammatory compound	20180322
CN-112154158-A	Alginic acid derivatives with non-steroidal anti-inflammatory compounds attached	20180322
EP-3770180-A1	Alginic acid derivative bonded to nonsteroidal anti-inflammatory compound	20180322
US-2021000968-A1	Alginic acid derivative bonded to nonsteroidal anti-inflammatory compound	20180322

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.03644
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.03644
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1