(S) -b-Amino-cyclohexanepropanol

CAT: 0127-OR953185-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR953185-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

131288-67-0

MDL Number

MFCD00191731

Purity

97%

Smiles

N[C@H](CO)CC1CCCCC1

Chemical Information

(2S)-2-amino-3-cyclohexylpropan-1-ol

CAS Number	131288-67-0
PubChem CID	444569
IUPAC Name	(2S)-2-amino-3-cyclohexylpropan-1-ol
Molecular Formula	C9H19NO
Molecular Weight	157.25
XLogP	1.9
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	99

SMILES

C1CCC(CC1)C[C@@H](CO)N

InChI

InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1

InChIKey

QWDRYURVUDZKSG-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 131288-67-0

CID: 444569

Formula: C9H19NO

MW: 157.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.25
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	157.146664230
Monoisotopic Mass	157.146664230
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	99.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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