AG00I7V3

400899-99-2 | Carbamic acid, (trans-4-hydroxycyclohexyl)methyl-, 1,1-dimethylethylester

AG00I7V3

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CAS Number	400899-99-2
Catalog Number	AG00I7V3(AGN-PC-0RLU2T)
Chemical Name	Carbamic acid, (trans-4-hydroxycyclohexyl)methyl-, 1,1-dimethylethylester
IUPAC Name	tert-butyl N-(4-hydroxycyclohexyl)-N-methylcarbamate
InChI	InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9-10,14H,5-8H2,1-4H3
InChI Key	UJHKURDWYJBHPD-UHFFFAOYSA-N
MDL Number	MFCD23106043
Molecular Formula	C12H23NO3
Molecular Weight	229.3159
SMILES	O=C(OC(C)(C)C)N([C@H]1CC[C@H](O)CC1)C
Synonyms	4-(N-Boc-N-methylamino)cyclohexanol, 1256633-24-5, 400899-99-2, 561307-54-8, cis-(4-Hydroxy-cyclohexyl)-methyl-carbamic acid tert-butyl ester, trans-(4-Hydroxy-cyclohexyl)-methyl-carbamic acid tert-butyl ester, tert-Butyl (cis-4-hydroxycyclohexyl)(methyl)carbamate, tert-Butyl (trans-4-Hydroxycyclohexyl)(methyl)carbamate, trans-4-[Boc(methyl)amino]cyclohexanol, tert-butyl N-(4-hydroxycyclohexyl)-N-methylcarbamate, SCHEMBL1204990, SCHEMBL1204992, SCHEMBL1958715, SCHEMBL14206301, SCHEMBL19444728, UJHKURDWYJBHPD-AOOOYVTPSA-N, UJHKURDWYJBHPD-MGCOHNPYSA-N, UJHKURDWYJBHPD-UHFFFAOYSA-N, KS-000007JW, KS-000007JX, MFCD09751887, MFCD23106042, MFCD23106043, ZINC87493488, AKOS023773575, AKOS025290028, AKOS025290029, ZINC103538914, ZINC103541015, FCH1626871, PB37163, PB39072, SB20766, SB20767, TRA0032621, 4-(N-Boc-N-methylamino)cyclohexan-1-ol, AS-34722, AS-34723, CS-11227, SY010994, SY100008, AB0038603, DB-020829, TC-307576, cis-4-(N-Boc-N-methylamino)cyclohexan-1-ol, CS-0036184, CS-0049759, FT-0719703, Y5983, K-1889, Q-3283, Q-3628, tert-Butyl 4-hydroxycyclohexyl(methyl)carbamate, trans-4-(N-Boc-N-methylamino)cyclohexan-1-ol, MFCD09751887 (97+%), MFCD23106043 (97+%), tert-butyl (trans-4-hydroxycyclohexyl)-methylcarbamate, tert-butyl(trans-4-hydroxycyclohexyl)-methylcarbamate, tert-butyl (1s,4s)-4-hydroxycyclohexyl(methyl)carbamate, (S)-TERT-BUTYL 4-HYDROXYCYCLOHEXYL(METHYL)CARBAMATE, tert-Butyl trans-N-(4-hydroxycyclohexyl)-N-methylcarbamate, (S)-TERT-BUTYL 4-HYDROXYCYCLOHEXYL(METHYL) CARBAMATE, Carbamic acid, (cis-4-hydroxycyclohexyl)methyl-, 1,1-dimethylethylester, Carbamic acid, (trans-4-hydroxycyclohexyl)methyl-, 1,1-dimethylethylester, cis-1-Hydroxy-4-(N-tert-butyloxycarbonyl-N-methyl-amino)-cyclohexane, C12H23NO3, 28004-56-0, 1053656-51-1,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.168g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.32g/mol
Monoisotopic Mass	229.168g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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