(S)-(+)-2-Amino-3-cyclohexyl-1-propanol hydrochloride - 97%, high purity , CAS No.117160-99-3

Item Number

S468600

Grouped product items
SKU	Size	Availability	Price	Qty
S468600-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90	+-
S468600-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$406.90	+-

Basic Description

Synonyms	(S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride \| (S)-(+)-2-Amino-3-cyclohexyl-1-propanol hydrochloride, 97% \| 2-(S)-amino-3-cyclohexylpropanol hydrochloride \| (2S)-2-AMINO-3-CYCLOHEXYL-1-PROPANOL HYDROCHLORIDE \| (2S)-2-Amino-3-Cyclohexylpropan-1-Ol Hyd
Specifications & Purity	≥97%
Product Description	Description Used in the synthesis of renin inhibitors.

Names and Identifiers

IUPAC Name	(2S)-2-amino-3-cyclohexylpropan-1-ol;hydrochloride
INCHI	InChI=1S/C9H19NO.ClH/c10-9(7-11)6-8-4-2-1-3-5-8;/h8-9,11H,1-7,10H2;1H/t9-;/m0./s1
InChi Key	BMHYDTXNZNVADC-FVGYRXGTSA-N
Canonical SMILES	C1CCC(CC1)CC(CO)N.Cl
Isomeric SMILES	C1CCC(CC1)C[C@@H](CO)N.Cl
WGK Germany	3
PubChem CID	16212813
Molecular Weight	193.71

Chemical and Physical Properties

Specific Rotation[α]	α20D+2.6°, c = 1 in methanol
Melt Point(°C)	230° C (lit.)(dec.)
Molecular Weight	193.710 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	193.123 Da
Monoisotopic Mass	193.123 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	99.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3
RIDADR	NONHforallmodesoftransport

References

1. J R Luly, N BaMaung, J Soderquist, A K Fung, H Stein, H D Kleinert, P A Marcotte, D A Egan, B Bopp, I Merits,. (1988-12-01) Renin inhibitors. Dipeptide analogues of angiotensinogen utilizing a dihydroxyethylene transition-state mimic at the scissile bond to impart greater inhibitory potency.. Journal of medicinal chemistry, 31 ((12)): ( 2264-2276 ). [PMID:3143009]

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Basic Description