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3685-23-2

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Basic Information
CAS No.: 3685-23-2
Name: cis-4-Aminocyclohexanecarboxylic acid
Article Data: 18
Molecular Structure:
Molecular Structure of 3685-23-2 (cis-4-Aminocyclohexanecarboxylic acid)
Formula: C7H13NO2
Molecular Weight: 143.186
Synonyms: (cis-4-Carboxycyclohexyl)amine;1,4-cis-Aminocyclohexanecarboxylic acid;UK 22314;cis-4-Aminocyclohexane-1-carboxylic acid;
EINECS: 626-259-5
Density: 1.134 g/cm3
Melting Point: 299-301 °C(lit.)
Boiling Point: 279.993 °C at 760 mmHg
Flash Point: 123.136 °C
Solubility: Soluble in water
Appearance: off-white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 63.32000
LogP: 1.28880
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Chemistry

Molecular Structure of cis-4-Aminocyclohexanecarboxylic acid (CAS No.3685-23-2):
 
Molecular Formula: C7H13NO2
Molecular Weight: 143.18
CAS No: 3685-23-2
Melting point: 299-301 ºC
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Topological Polar Surface Area: 67.8
Heavy Atom Count: 10
Formal Charge: 0
Complexity: 122
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
Appearence: Off-white powder
IUPAC Name: 4-Azaniumylcyclohexane-1-carboxylate 
Canonical SMILES: C1CC(CCC1C(=O)[O-])[NH3+]
InChI: InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKey: DRNGLYHKYPNTEA-UHFFFAOYSA-N
Product Categories: 4-Substituted Cyclohexanecarboxylic Acids;C7;Carbonyl Compounds;Carboxylic Acids;Alicyclic Amino Acids;Peptide Synthesis;Unnatural Amino Acid Derivatives

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant

Specification

   cis-4-Aminocyclohexanecarboxylic acid (CAS No.3685-23-2), it also can be called cis-4-Amino-1-cyclohexanecarboxylic acid .