Completing data — usually done within a minute
Basic information
- CAS
26872-84-4- Standard SMILES
O=C(O)CCNC1CCCCC1- InChIKey
ATFRXUJCSMOJPH-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592878
Names & identifiers
- Preferred name
- 3-Cyclohexylaminopropionic acid
- IUPAC
- 3-(cyclohexylamino)propanoic acid
Names & synonyms
26872-84-4N-CYCLOHEXYL-BETA-ALANINE3-Cyclohexylaminopropionic acidMCU4GF3BSXEINECS 248-079-2NSC-62840DTXSID60181384N-CYCLOHEXYL-.BETA.-ALANINENSC 62840.BETA.-ALANINE, N-CYCLOHEXYL-.BETA.-(N-CYCLOHEXYLAMINO)PROPIONIC ACIDRefChem:93596
Show more names
DTXCID70103875BETA-ALANINE, N-CYCLOHEXYL-BETA-(N-CYCLOHEXYLAMINO)PROPIONIC ACID248-079-23-(cyclohexylamino)propanoic acidCyclohexanepropanoic acid, a-amino-MLS000736700UNII-MCU4GF3BSX
Database identifiers
- CAS
26872-84-4- PubChem CID
- 33631
- DTXSID
DTXSID60181384- ChEMBL
CHEMBL1612589- UNII
- MCU4GF3BSX
- EC Number
- 248-079-2
- Nikkaji
- J249.074I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
1 records
Compound notes
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