AG002QQ2

251661-01-5 | Carbamic acid, N-(1-methylcyclopropyl)-, 1,1-dimethylethyl ester

AG002QQ2

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CAS Number	251661-01-5
Catalog Number	AG002QQ2(AGN-PC-07AF6C)
Chemical Name	Carbamic acid, N-(1-methylcyclopropyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(1-methylcyclopropyl)carbamate
InChI	InChI=1S/C9H17NO2/c1-8(2,3)12-7(11)10-9(4)5-6-9/h5-6H2,1-4H3,(H,10,11)
InChI Key	PJNBAQDPGDFJRG-UHFFFAOYSA-N
MDL Number	MFCD11111233
Molecular Formula	C9H17NO2
Molecular Weight	171.2368
SMILES	O=C(OC(C)(C)C)NC1(C)CC1
Synonyms	251661-01-5, tert-Butyl (1-methylcyclopropyl)carbamate, N-Boc-1-methylcyclopropanamine, TERT-BUTYL 1-METHYLCYCLOPROPYLCARBAMATE, Carbamic acid, (1-methylcyclopropyl)-, 1,1-dimethylethyl ester, SCHEMBL2087734, CTK7G9068, DTXSID80666946, PJNBAQDPGDFJRG-UHFFFAOYSA-N, N-Boc-1-methylcyclopropan-1-amine, KS-00000EC2, ANW-45943, MFCD11111233, ZINC39094315, AKOS006306424, TRA0088144, AJ-98335, CS-11659, QC-10148, SY027633, AB0023716, TC-134688, tert-butyl N-(1-methylcyclopropyl)carbamate, 4CH-002106, CS-0036425, ST24025779, W4838, Z-3753, 1,1-dimethylethyl (1-methylcyclopropyl)carbamate, MFCD11111233 (95+%), (1-methyl-cyclopropyl)-carbamic acid tert-butyl ester, 1-methyl-1-[N-(tert-butoxycarbonyl)amino]-cyclopropane, Carbamic acid, N-(1-methylcyclopropyl)-, 1,1-dimethylethyl ester, C9H17NO2, Carbamicacid, -,1,1-dimethylethylester, Carbamic acid, (1-methylcyclopropyl)-, 1,1-dimethylethyl ester (9CI),

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.126g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.24g/mol
Monoisotopic Mass	171.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

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