AG00940P

1097731-47-9 | tert-Butyl 2-ethynylbenzylcarbamate

AG00940P

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CAS Number	1097731-47-9
Catalog Number	AG00940P(AGN-PC-0WAN4E)
Chemical Name	tert-Butyl 2-ethynylbenzylcarbamate
IUPAC Name	tert-butyl N-[(2-ethynylphenyl)methyl]carbamate
InChI	InChI=1S/C14H17NO2/c1-5-11-8-6-7-9-12(11)10-15-13(16)17-14(2,3)4/h1,6-9H,10H2,2-4H3,(H,15,16)
InChI Key	RSZRTXWCUFDWLA-UHFFFAOYSA-N
MDL Number	MFCD24471043
Molecular Formula	C14H17NO2
Molecular Weight	231.2903
SMILES	O=C(OC(C)(C)C)NCC1=CC=CC=C1C#C
Synonyms	tert-Butyl 2-ethynylbenzylcarbamate, 1097731-47-9, AK138402, KS-00000RRA, DTXSID10856893, MFCD24471043, ZINC95830134, AKOS022174032, DS-6006, FCH1664343, AJ-134276, AX8260005, ST2407644, 4CH-018527, J3.629.953C, tert-Butyl [(2-ethynylphenyl)methyl]carbamate, tert-butyl N-[(2-ethynylphenyl)methyl]carbamate, N-(2-Ethynylbenzyl)carbamic acid tert-butyl ester,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.295g/mol
Monoisotopic Mass	231.126g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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