AG003K91

2987-05-5 | 4-(Methylamino)cyclohexanol

AG003K91

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CAS Number	2987-05-5
Catalog Number	AG003K91(AGN-PC-00BTZV)
Chemical Name	4-(Methylamino)cyclohexanol
EC Number	919-883-7
IUPAC Name	4-(methylamino)cyclohexan-1-ol
InChI	InChI=1S/C7H15NO/c1-8-6-2-4-7(9)5-3-6/h6-9H,2-5H2,1H3
InChI Key	OMJKFWFDNIIACS-UHFFFAOYSA-N
MDL Number	MFCD09909445
Molecular Formula	C7H15NO
Molecular Weight	129.2001
SMILES	OC1CCC(NC)CC1
Synonyms	4-(methylamino)cyclohexanol, trans-4-(Methylamino)cyclohexanol, cis-4-(Methylamino)cyclohexanol, 22348-44-3, 22348-38-5, cis-4-Methylamino-cyclohexanol, 2987-05-5, trans-4-Methylamino-cyclohexanol, 4-(methylamino)cyclohexan-1-ol, Cyclohexanol, 4-(methylamino)-, (1R,4R)-4-(METHYLAMINO)CYCLOHEXANOL, 4-methylaminocyclohexanol, 4-Methylamino-cyclohexanol, cis-4-methylaminocyclohexanol, SCHEMBL561590, SCHEMBL561591, SCHEMBL1205023, SCHEMBL6822248, (cis)-4-Methylaminocyclohexanol, SCHEMBL13888595, CTK8B4572, CTK8C0990, CTK8D3606, cis-4-(Methylamino);cyclohexanol, OMJKFWFDNIIACS-KNVOCYPGSA-N, OMJKFWFDNIIACS-LJGSYFOKSA-N, OMJKFWFDNIIACS-UHFFFAOYSA-N, trans-4-(Methylamino);cyclohexanol, AB3908, AB3909, ANW-45519, ANW-65645, CM0060, MFCD09909445, MFCD09954372, MFCD17012010, ZINC35837107, AKOS006242769, AKOS006310688, AKOS006348540, ZINC100007653, ZINC100025489, CS-W004636, CS-W019271, DS-7263, MCULE-6477610530, PB13112, PB22804, TRA0066726, cis-1-hydroxy-4-methylamino-cyclohexane, KS-000007K1, KS-000007K2, KS-0000096C, Cyclohexanol, 4-(methylamino)-, trans-, AJ-92160, AK-88386, AK-89578, AK141349, AS-34725, DS-16553, SC-84448, SY010993, SY056651, AB0023528, AB1006335, AB1006336, DB-011536, DB-011539, DB-068172, ST2414007, TC-063482, TC-063483, TC-071852, (trans)-(4-hydroxy-cyclohexyl)-methyl-amine, 4CH-009177, 4CH-016732, 4CH-024993, CS-0049672, FT-0687389, FT-0752249, FT-0765710, ST24030262, ST24043108, W4603, Y6165, MFCD09909445 (95%), MFCD09954372 (97%), A25734, K-0032, Q-2438, Q-2889, (1R,4R)-4-(METHYLAMINO)CYCLOHEXAN-1-OL, I04-1196, Z138503904, null, 4-methylaminocyclohexan-1-ol, C7H15NO, TRANS-4- CYCLOHEXANOL, ACN-031766, CID11571804,

Complexity	77
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.115g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	129.203g/mol
Monoisotopic Mass	129.115g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number