AG002SCH

262278-40-0 | Carbamic acid, N-(4-iodobutyl)-, 1,1-dimethylethyl ester

AG002SCH

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CAS Number	262278-40-0
Catalog Number	AG002SCH(AGN-PC-006STZ)
Chemical Name	Carbamic acid, N-(4-iodobutyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(4-iodobutyl)carbamate
InChI	InChI=1S/C9H18INO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)
InChI Key	KJMOGHNVYHTFRG-UHFFFAOYSA-N
MDL Number	MFCD09951820
Molecular Formula	C9H18INO2
Molecular Weight	299.1492
SMILES	ICCCCNC(=O)OC(C)(C)C
Synonyms	262278-40-0, tert-Butyl (4-iodobutyl)carbamate, TERT-BUTYL 4-IODOBUTYLCARBAMATE, 1,1-dimethylethyl (4-iodobutyl)carbamate, N-(tert-butoxycarbonyl)-4-iodobutylamine, t-Butyl 4-iodobutylcarbamate, SCHEMBL2233648, CTK0I6273, DTXSID90701756, KJMOGHNVYHTFRG-UHFFFAOYSA-N, MFCD09951820, ZINC90561320, AKOS030572118, N-tert-butoxycarbonyl-4-amino-1-iodobutane, (4-Iodobutyl)-carbamic Acid Tert-butyl Ester, A1-06028, Carbamic acid, (4-iodobutyl)-, 1,1-dimethylethyl ester, Carbamic acid, N-(4-iodobutyl)-, 1,1-dimethylethyl ester, TERT-BUTYL4-IODOBUTYLCARBAMATE,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	299.152g/mol
Monoisotopic Mass	299.038g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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