AG001X75

167216-30-0 | Carbamic acid, N-(3-hydroxybutyl)-, 1,1-dimethylethyl ester

AG001X75

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CAS Number	167216-30-0
Catalog Number	AG001X75(AGN-PC-03S75C)
Chemical Name	Carbamic acid, N-(3-hydroxybutyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(3-hydroxybutyl)carbamate
InChI	InChI=1S/C9H19NO3/c1-7(11)5-6-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChI Key	IDXKPWMYURAXTA-UHFFFAOYSA-N
MDL Number	MFCD04974277
Molecular Formula	C9H19NO3
Molecular Weight	189.2521
SMILES	O=C(OC(C)(C)C)NCCC(O)C
Synonyms	tert-Butyl (3-hydroxybutyl)carbamate, 167216-30-0, tert-butyl 3-hydroxybutylcarbamate, tert-butyl N-(3-hydroxybutyl)carbamate, 4-(Boc-amino)-2-butanol, SCHEMBL2368382, 4-(N-BOC-amino)-butan-2-ol, IDXKPWMYURAXTA-UHFFFAOYSA-N, MFCD04974277, AKOS006293211, AK-63360, DS-15228, (rac) tert-butyl (3-hydroxybutyl)carbamate, R8701, Z2773, 4-(N-(tert-Butyloxycarbonyl)amino)-2-butanol, (3-hydroxy-butyl)-carbamic acid tert-butyl ester, Carbamic acid, N-(3-hydroxybutyl)-, 1,1-dimethylethyl ester, C9H19NO3, (R)-tert-Butyl (3-hydroxybutyl)carbamate, Carbamic acid, (3-hydroxybutyl)-, 1,1-dimethylethyl ester (9CI), 1311369-01-3,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.136g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.255g/mol
Monoisotopic Mass	189.136g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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