beta-Alanine 4-methoxy-beta-naphthylamide
Basic information
- CAS
100900-10-5- Standard SMILES
COc1cc(NC(=O)CCN)cc2ccccc12- InChIKey
NUOJRXOHKAOEDJ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- beta-Alanine 4-methoxy-beta-naphthylamide
- IUPAC
- 3-amino-N-(4-methoxynaphthalen-2-yl)propanamide
- English name
- beta-alanine 4-methoxy-beta-naphthylamide
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
100900-10-5beta-alanine 4-methoxy-beta-naphthylamideRefChem:567110634-459-93-amino-N-(4-methoxynaphthalen-2-yl)propanamideSCHEMBL2179155Reaxys ID: 9774636β-Alanine 4-methoxy-β-naphthylamidePropanamide, 3-amino-N-(4-methoxy-2-naphthalenyl)-
Database identifiers
- CAS
100900-10-5- PubChem CID
- 688384
- EC Number
- 634-459-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 22 · 22-36
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
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H351
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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