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Cyclohexanepropanoic acid, α-amino-, hydrate, (αR) -

CAT: 0931-T66758-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T66758-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
213178-94-0
Target
Amino Acids and Derivatives
Related Pathways
Metabolism
Purity
0.9947
Bioactivity
Cyclohexanepropanoic acid, α-amino-, hydrate, (αR) - is an alanine derivative for biochemical experiments and drug synthesis research.
Smiles
C([C@H](C(O)=O)N)C1CCCCC1.O
Molecular Formula
C9H19NO3
Molecular Weight
189.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Cyclohexyl-D-alanine hydrate
CAS Number213178-94-0
PubChem CID71311572
IUPAC Name(2R)-2-amino-3-cyclohexylpropanoic acid;hydrate
Molecular FormulaC9H19NO3
Molecular Weight189.25
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity153
SMILES
C1CCC(CC1)C[C@H](C(=O)O)N.O
InChI
InChI=1S/C9H17NO2.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h7-8H,1-6,10H2,(H,11,12);1H2/t8-;/m1./s1
InChIKey
HDJQIWAIDCEDEF-DDWIOCJRSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyclohexyl-D-alanine hydrate
CAS: 213178-94-0
CID: 71311572
Formula: C9H19NO3
MW: 189.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.25
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass189.13649347
Monoisotopic Mass189.13649347
Topological Polar Surface Area64.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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