AG001M78

149990-27-2 | Carbamic acid, N-3-butyn-1-yl-, 1,1-dimethylethyl ester

AG001M78

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CAS Number	149990-27-2
Catalog Number	AG001M78(AGN-PC-0N9IFN)
Chemical Name	Carbamic acid, N-3-butyn-1-yl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-but-3-ynylcarbamate
InChI	InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h1H,6-7H2,2-4H3,(H,10,11)
InChI Key	BWNQTGRBVMERHU-UHFFFAOYSA-N
MDL Number	MFCD10698150
Molecular Formula	C9H15NO2
Molecular Weight	169.2209
SMILES	C(CC#C)NC(OC(C)(C)C)=O
Synonyms	tert-Butyl but-3-yn-1-ylcarbamate, 149990-27-2, TERT-BUTYL 3-BUTYN-1-YLCARBAMATE, tert-butyl but-3-ynylcarbamate, CARBAMIC ACID, 3-BUTYNYL-, 1,1-DIMETHYLETHYL ESTER, Tert-butyl N-but-3-ynylcarbamate, SCHEMBL479811, CTK8H0282, DTXSID80443951, BWNQTGRBVMERHU-UHFFFAOYSA-N, N-BOC-BUT-3YN-1-YLAMINE, 4-tert-butoxycarbonylamino-1-butyne, Tert-butyl N-3-butyn-1-ylcarbamate, MFCD10698150, ZINC34413435, AKOS006282164, AB61409, CS-W005191, DS-3567, MP-0188, 3-Butynylcarbamic acid tert-butyl ester, But-3-ynylcarbamic acid tert-butyl ester, AJ-88408, AK106963, CJ-18360, EN002389, SC-84942, but-3-ynyl-carbamic acid tert-butyl ester, AB0005238, 4CH-008978, ST24031860, Z4192, KS-00000046, (EO(1/4)A)tert-butyl 3-butyn-1-ylcarbamate, I14-10751, F2147-2116, Carbamic acid, N-3-butyn-1-yl-, 1,1-dimethylethyl ester, C9H15NO2, 4-(cyclooctylamino)-4-oxobutanoic acid, CID10725815, CARBAMIC ACID, 3-BUTYNYL-, 1,1-DIMETHYLETHYL ESTER (9CI),

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.224g/mol
Monoisotopic Mass	169.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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