AG0080YJ

120539-91-5 | Benzyl prop-2-yn-1-ylcarbamate

AG0080YJ

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CAS Number	120539-91-5
Catalog Number	AG0080YJ(AGN-PC-0NGI7A)
Chemical Name	Benzyl prop-2-yn-1-ylcarbamate
IUPAC Name	benzyl N-prop-2-ynylcarbamate
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
MDL Number	MFCD10698152
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	C(OC(=O)NCC#C)c1ccccc1
Synonyms	Benzyl prop-2-yn-1-ylcarbamate, 120539-91-5, N-Cbz-propargylamine, BENZYL PROP-2-YNYLCARBAMATE, BENZYL N-(PROP-2-YN-1-YL)CARBAMATE, N-Cbz-Propylamine, N-Cbz propargylamine, N-Cbz-2-propyn-1-amine, SCHEMBL3211861, CTK8C0417, DTXSID20456565, SVBHWCDDVMKYTN-UHFFFAOYSA-N, Propargylcarbamic acid benzyl ester, ANW-64648, FCH829153, MFCD10698152, ZINC38292953, AKOS006243096, AB61413, Prop-2-ynyl-carbamic acid Benzyl Ester, AJ-94953, AS-38735, BBV-38264532, DA-14456, SC-14587, AX8235144, TC-153393, FT-0728541, Carbamic acid, 2-propynyl-, phenylmethyl ester, EN300-269141, Q-9154, Z193021306, Benzyl N-prop-2-ynylcarbamate, prop-2-ynyl carbamicacid benzylester, CID11137906,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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