AG001KMM

145166-06-9 | Carbamic acid, N-[(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester

AG001KMM

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CAS Number	145166-06-9
Catalog Number	AG001KMM(AGN-PC-0PWQMN)
Chemical Name	Carbamic acid, N-[(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
InChI	InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m0/s1
InChI Key	XVROWZPERFUOCE-IUCAKERBSA-N
MDL Number	MFCD11042330
Molecular Formula	C11H21NO3
Molecular Weight	215.2893
SMILES	O=C(OC(C)(C)C)N[C@@H]1[C@@H](O)CCCC1
Synonyms	145166-06-9, tert-Butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate, tert-butyl (1S,2S)-2-hydroxycyclohexylcarbamate, (1S,2S)-trans-N-Boc-2-aminocyclohexanol, tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate, tert-Butyl [(1S,2S)-2-hydroxycyclohexyl]carbamate, PubChem19440, SCHEMBL741312, Carbamic acid,N-[(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester, CTK4C4413, DTXSID40434168, XVROWZPERFUOCE-IUCAKERBSA-N, KS-00000H4Z, ZINC2541575, ANW-56485, MFCD11042330, CS-W008680, DS-2392, MP-1415, RL01821, RL03149, SB17591, Carbamic acid, [(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI), AJ-39202, CJ-09250, AB0047782, ST2413821, TC-145230, FT-0773935, Z4169, (1S,2S)-1-(Boc-Amino)-2-hydroxycyclohexane, (1S,2S)-trans-N-Boc-2-aminocyclohexanol, 95%, (1S,2S)-2-tert-Butoxycarbonylamino-1-cyclohexanol, tert-Butyl N-((2S,1S)-2-hydroxycyclohexyl)carbamate, (1S)-2beta-(tert-Butoxycarbonylamino)cyclohexane-1alpha-ol, 2-Methyl-2-propanyl [(1S,2S)-2-hydroxycyclohexyl]carbamate, Carbamic acid, N-[(1S,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester, tert-ButylN-( carbamate, C11H21NO3, CB11256, CID10013520, Tert-butyl N-[(2R)-2-hydroxycyclohexyl]carbamate, tert-butyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate, 322407-34-1, 155975-19-2,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	215.152g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.293g/mol
Monoisotopic Mass	215.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

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