Basic information
- CAS
129593-17-5- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CO)CC1CCCCC1- InChIKey
BOJQBBXPSVGTQT-GFCCVEGCSA-N- Molecular formula
- C14H27NO3
- Average molar mass
- 257.37 g/mol
Names & identifiers
- Preferred name
- (R)-2-(Boc-amino)-3-cyclohexylpropan-1-ol
- IUPAC
- tert-butyl N-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamate
- English name
- Boc-D-Cha-ol
- Molecular formula
- C14H27NO3
- Molecular weight
- 257.37
Names & synonyms
129593-17-5(R)-2-(Boc-amino)-3-cyclohexylpropan-1-oltert-butyl N-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamateMFCD00797547D-Boc-cyclohexylalaninolBoc-D-cha-oltert-Butyl (R)-(1-cyclohexyl-3-hydroxypropan-2-yl)carbamateSCHEMBL55961BOJQBBXPSVGTQT-GFCCVEGCSA-Ntert-butyl (1R)-2-cyclohexyl-1-(hydroxymethyl)ethylcarbamateC77846EN300-12450053
Show more names
BOC-D-CYCLOHEXYLALANINOLN-(t-Butoxycarbonyl)-D-cyclohexylalaninolNALPHA-tert-Butoxycarbonyl-3-cyclohexyl-D-alaninol(R)-2-(tert-Butoxycarbonylamino)-3-cyclohexylpropan-1-ol(R)-tert-butyl (1-cyclohexyl-3-hydroxypropan-2-yl)carbamateCarbamic acid, N-[(1R)-2-cyclohexyl-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
tert-butyl N-[(1R)-1-(cyclohexylmethyl)-2-hydroxy-ethyl]carbamate[(1R)-2-Cyclohexyl-1-(hydroxymethyl)ethyl]-carbamic acid 1,1-dimethylethyl ester; (R)-[2-Cyclohexyl-1-(hydroxymethyl)ethyl]-carbamic acid 1,1-dimethylethyl ester
Database identifiers
- CAS
129593-17-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 385.4 · 385.4±25.0 °C(Predicted)
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.08 · 12.08±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
UsesD-Boc-cyclohexylalaninol is an intermediate used in preparation of bradykinin B1 receptor antagonists.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…