N-Cbz-2-propyn-1-amine - CAS 120539-91-5

Catalog:	BB004906
Product Name:	N-Cbz-2-propyn-1-amine
CAS:	120539-91-5
Synonyms:	N-prop-2-ynylcarbamic acid (phenylmethyl) ester; benzyl N-prop-2-ynylcarbamate

Technical Data

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Computed Properties

IUPAC Name:	benzyl N-prop-2-ynylcarbamate
Description:	N-Cbz-2-propyn-1-amine (CAS# 120539-91-5) is used for protective groups in organic synthesis.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	C#CCNC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C11H11NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13)
InChI Key:	SVBHWCDDVMKYTN-UHFFFAOYSA-N
LogP:	1.75040

Publication Number	Title	Priority Date
JP-2021119130-A	A drug consisting of a fused lactam derivative	20200129
US-2020172543-A1	Condensed lactam derivative	20180723
WO-2020022237-A1	Fused ring lactam derivatives	20180723
TW-202012401-A	Acetylamide derivatives	20180723
US-10745401-B2	Condensed lactam derivative	20180723

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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:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8