AG001XMF

1678-68-8 | Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, trans-

AG001XMF

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CAS Number	1678-68-8
Catalog Number	AG001XMF(AGN-PC-0O4RBH)
Chemical Name	Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, trans-
IUPAC Name	ethyl 4-aminocyclohexane-1-carboxylate
InChI	InChI=1S/C9H17NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6,10H2,1H3
InChI Key	WASRJUXSLHUONH-UHFFFAOYSA-N
MDL Number	MFCD01333991
Molecular Formula	C9H17NO2
Molecular Weight	171.2368
SMILES	O=C([C@H]1CC[C@H](N)CC1)OCC
Synonyms	Ethyl 4-aminocyclohexanecarboxylate, 1678-68-8, 51498-33-0, cis-Ethyl 4-aminocyclohexanecarboxylate, 3685-28-7, trans-Ethyl 4-aminocyclohexanecarboxylate, ethyl 4-aminocyclohexane-1-carboxylate, 4-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER, ETHYL TRANS-4-AMINOCYCLOHEXANECARBOXYLATE, CIS-4-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER, TRANS-4-AMINOCYCLOHEXANE CARBOXYLIC ACID ETHYL ESTER, Ethyl cis-4-aminocyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, trans-, cis-ethyl 4-aminocyclohexane-1-carboxylate, ethyl cis-4-amino-1-cyclohexanecarboxylate, trans-4-Aminocyclohexanecarboxylic acid ethyl ester, SCHEMBL3283, Oprea1_557108, SCHEMBL826452, SCHEMBL852813, AC1L8Y29, AC1Q34I3, ethyl cis-4-aminocyclohexanoate, SCHEMBL12069103, SCHEMBL16503518, CTK1B6043, CTK1G4687, CTK4D2795, KS-00000HOV, WASRJUXSLHUONH-OCAPTIKFSA-N, WASRJUXSLHUONH-UHFFFAOYSA-N, WASRJUXSLHUONH-ZKCHVHJHSA-N, ZINC1622084, 4686AB, 7177AB, ethyl-4-amino-cyclohexane carboxylate, MFCD01333987, MFCD01333991, MFCD01995051, QC-746, AKOS010026243, AKOS015909407, AKOS016009344, ethyl 4-amino-1-cyclohexanecarboxylate, ZINC100025388, ZINC100025967, ACN-030149, CS-W007228, DS-4508, DS-4599, MCULE-1747154121, NE63526, AJ-28372, AK-35420, AK110039, AK110272, DS-12658, SC-52322, SC-52785, (trans)-Ethyl 4-aminocyclohexanecarboxylate, DB-064666, FT-0750597, 4-Aminocyclohexane carboxylic acid ethyl ester, EN300-49734, Z-5505, Ethyl (1alpha)-4alpha-aminocyclohexanecarboxylate, ethyl (1s,4s)-4-aminocyclohexane-1-carboxylate, Cis-4-Aminocyclohexane carboxylic acid ethyl ester, Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, M111067, trans-4-amino-cyclohexanecarboxylic acid ethylester, J-010401, trans-4-amino-cyclohexanecarboxylic acid ethyl ester, I14-33495, trans-4-Amino-cyclohexane-carboxylic acid ethyl ester, 4beta-Aminocyclohexane-1alpha-carboxylic acid ethyl ester, Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, cis-, Cyclohexanecarboxylicacid, 4-amino-, ethyl ester, trans-, F8881-6977, Z1250132436, C9H17NO2, Ethyl4-aminocyclohexanecarboxylate, NSC25535, CID409963, trans-Ethyl4-aminocyclohexanecarboxylate,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.126g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.24g/mol
Monoisotopic Mass	171.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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