Methyl 1-Amino-4-ethylcyclohexanecarboxylate

CAT: 0926-UTB55570-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-UTB55570-01Size:100 mg

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CAS Number

1094555-70-0

MDL Number

MFCD11212028

Smiles

CCC1CCC (CC1) (C (=O) OC) N

Molecular Formula

C10H19NO2

Molecular Weight

185.3 g/mol

Controlled

Chemical Information

Methyl 1-aMino-4-ethylcyclohexanecarboxylate

CAS Number	1094555-70-0
PubChem CID	43162944
IUPAC Name	methyl 1-amino-4-ethylcyclohexane-1-carboxylate
Molecular Formula	C10H19NO2
Molecular Weight	185.26
XLogP	1.6
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	183

SMILES

CCC1CCC(CC1)(C(=O)OC)N

InChI

InChI=1S/C10H19NO2/c1-3-8-4-6-10(11,7-5-8)9(12)13-2/h8H,3-7,11H2,1-2H3

InChIKey

DQNFTVRKJDPGOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1094555-70-0

CID: 43162944

Formula: C10H19NO2

MW: 185.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.26
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	185.141578849
Monoisotopic Mass	185.141578849
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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