Basic information
- CAS
131288-67-0- Standard SMILES
N[C@H](CO)CC1CCCCC1- InChIKey
QWDRYURVUDZKSG-VIFPVBQESA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Names & identifiers
- Preferred name
- (2S)-2-amino-3-cyclohexylpropan-1-ol
- IUPAC
- (2S)-2-amino-3-cyclohexylpropan-1-ol
- English name
- (S)-2-Amino-3-cyclohexyl-propan-1-ol
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
131288-67-0(2S)-2-amino-3-cyclohexylpropan-1-ol1-Hydroxy-2-Amino-3-CyclohexylpropaneRefChem:398300967-668-1(S)-2-Amino-3-cyclohexylpropan-1-ol(S)-2-Amino-3-cyclohexyl-propan-1-olMFCD00191731Cyclohexanepropanol, beta-amino-, (betaS)-(S)-b-Amino-cyclohexanepropanolCHEMBL1231778SCHEMBL82667
Show more names
H-CHA-OLH-PHE(HEXAHYDRO)-OLL-CYCLOHEXYLALANINOL()-cyclohexylalaninol(S)-CYCLOHEXYLALANINOL(S)-beta-amino-Cyclohexanepropanol(S)-2-amino-3-cyclohexyl-1-propanol(S)-b-AMino-cyclohexanepropanol HClCyclohexanepropanol, β-amino-, (βS)-
QWDRYURVUDZKSG-VIFPVBQESA-NDTXSID401381219GFA28867BDBM50367060AKOS022180681DB04387EBC-381064(2S)-2-amino-3-cyclohexyl-propan-1-ol
Database identifiers
- CAS
131288-67-0- PubChem CID
- 444569
- DTXSID
DTXSID401381219- ChEMBL
CHEMBL1231778- EC Number
- 967-668-1
- Nikkaji
- J1.397.138B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 1 Torr)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 12.86 · 12.86±0.10(Predicted)
- Appearance
- colorless oil
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335-H412
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- HS Code
- 2922190090 · 2922190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922190090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Hazard statements
- H227-H315-H319-H335-H412
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers26 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
泰州天鸿生化科技有限公司0523-86132544 15366717810 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Related reactions
3 records
Compound notes
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