(R)-N1-Boc-1,2-propanediamine - CAS 333743-54-7

Catalog:	BB021690
Product Name:	(R)-N1-Boc-1,2-propanediamine
CAS:	333743-54-7
Synonyms:	N-[(2R)-2-aminopropyl]carbamic acid tert-butyl ester; tert-butyl N-[(2R)-2-aminopropyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[(2R)-2-aminopropyl]carbamate
Description:	(R)-N1-Boc-1,2-propanediamine (CAS# 333743-54-7) is a useful research chemical compound.
Molecular Weight:	174.24
Molecular Formula:	C8H18N2O2
Canonical SMILES:	CC(CNC(=O)OC(C)(C)C)N
InChI:	InChI=1S/C8H18N2O2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1
InChI Key:	UYNSYFDLTSSUNI-ZCFIWIBFSA-N
LogP:	1.94950

Publication Number	Title	Priority Date
WO-2021055728-A1	Small molecule inhibitors of kras g12c mutant	20190918
US-2020375987-A1	Metallo-beta-lactamase inhibitors and methods of use thereof	20180103
EP-3654968-A1	Metallo-beta-lactamase inhibitors and methods of use thereof	20170717
WO-2019018186-A1	METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE	20170717
US-2020281913-A1	Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof	20170717

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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:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	174.136827821
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	174.136827821
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4