Basic information
- CAS
167298-57-9- Standard SMILES
O=C(N[C@H]1CC[C@H](O)C1)OCc1ccccc1- InChIKey
BOLLUGKKOBOJGH-RYUDHWBXSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- trans-Benzyl 3-hydroxycyclopentylcarbamate
- IUPAC
- benzyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate
- English name
- Trans-Benzyl 3-Hydroxycyclopentylcarbamate
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
trans-Benzyl 3-hydroxycyclopentylcarbamate167298-57-9932706-24-6MFCD23136868BENZYL ((1S,3S)-3-HYDROXYCYCLOPENTYL)CARBAMATEBENZYL N-[(1S,3S)-3-HYDROXYCYCLOPENTYL]CARBAMATEBenzyl [(1S,3S)-3-hydroxycyclopentyl]carbamateSCHEMBL3547532BOLLUGKKOBOJGH-RYUDHWBXSA-NDTXSID301150150CS-0037961E89323
Show more names
rel-(Benzyl ((1S,3S)-3-hydroxycyclopentyl)carbamate)Trans-Benzyl 3-Hydroxycyclopentylcarbamate(WX600352)benzyl N-[(1S,3S)-rel-3-hydroxycyclopentyl]carbamateCarbamic acid, [(1R,3R)-3-hydroxycyclopentyl]-, phenylmethyl ester, rel- (9CI)
W10031F505197Carbamic acid, [(1R,3R)-3-hydroxycyclopentyl]-, phenylmethyl ester, rel-Carbamic acid, N-[(1S,3S)-3- hydroxycyclopentyl]-, phenylmethyl ester
Database identifiers
- CAS
167298-57-9- PubChem CID
- 59834849
- DTXSID
DTXSID301150150
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 415.1 · 415.1±44.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.06 · 12.06±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers11 total
Aladdin Scientific[email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
宁波苯康基石医药科技有限公司15990591583
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
1 records
Compound notes
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