Basic information
- CAS
1030837-49-0- Standard SMILES
O=C(O)[C@@H]1CN(Cc2ccccc2)CCO1- InChIKey
UJDWIUOGWSDEFP-NSHDSACASA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- (S)-4-Benzylmorpholine-2-carboxylic acid
- IUPAC
- (2S)-4-benzylmorpholine-2-carboxylic acid
- English name
- (S)-4-benzylmorpholine-2-carboxylic acid
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
(S)-4-BENZYLMORPHOLINE-2-CARBOXYLIC ACID1030837-49-0DTXSID60353044RefChem:211096DTXCID10304107(2S)-4-benzylmorpholine-2-carboxylic acid(S)-4-Benzylmorpholine-2-carboxylicacidSCHEMBL3521678CS-03356042-Morpholinecarboxylic acid, 4-(phenylmethyl)-, (2S)-
Database identifiers
- CAS
1030837-49-0- PubChem CID
- 736504
- DTXSID
DTXSID60353044- EC Number
- 111-273-1
- Nikkaji
- J2.678.839K
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
- InChIKey
- UJDWIUOGWSDEFP-NSHDSACASA-N
- SMILES
- O=C(O)[C@@H]1CN(CC2=CC=CC=C2)CCO1
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 261 · P261-P280-P333+P313-P337+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Sens. 1
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P280-P333+P313-P337+P313-P362+P364
Chemistry & industry
Suppliers5 total
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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