S-Benzyl-N-naphthalen-2-yl-L-cysteinamide
Basic information
- CAS
7436-63-7- Standard SMILES
N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1- InChIKey
TWOOKPVYHBSXIU-IBGZPJMESA-N- Molecular formula
- C20H20N2OS
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.12963444
Names & identifiers
- Preferred name
- S-Benzyl-N-naphthalen-2-yl-L-cysteinamide
- IUPAC
- (2R)-2-amino-3-benzylsulfanyl-N-naphthalen-2-ylpropanamide
- English name
- H-Cys(Bzl)-betana
- Molecular formula
- C20H20N2OS
- Molecular weight
- 336.45
Names & synonyms
7436-63-7DTXSID40350894S-Benzyl-N-naphthalen-2-yl-L-cysteinamideRefChem:379503DTXCID80301961H-CYS(BZL)-BETANA(R)-2-Amino-3-(benzylthio)-N-(naphthalen-2-yl)propanamide(2R)-2-amino-3-benzylsulfanyl-N-naphthalen-2-ylpropanamideMFCD00021595S-Benzyl-L-cysteine beta-naphthylamideH-Cys(Bzl)-NAPropionamide, 2-amino-3-(benzylthio)-N-2-naphthyl-, L-
Show more names
L-Cys(Bzl)-βNAH-Cys(Bzl)-βNAH-Cys(Bzl)-bNACYSTEINE(BZL)-BETANAS-Benzyl-L-Cys-(2-naphtyl)NH2S-Benzyl-L-cysteine-?-naphthylamideS-Benzyl-L-cysteine β-naphthylamideS-Benzyl-L-cysteine ?-naphthylamide99%
TWOOKPVYHBSXIU-IBGZPJMESA-NPropanamide, 2-amino-N-2-naphthalenyl-3-[(phenylmethyl)thio]-, (R)-AKOS027327974FD21279AS-49017CS-0363139S-Benzyl-N-(naphthalen-2-yl)-L-cysteinamide2-Amino-3-(benzylsulfanyl)-N-(2-naphthyl)propanamide #
Database identifiers
- CAS
7436-63-7- PubChem CID
- 688402
- DTXSID
DTXSID40350894- EC Number
- 633-341-4
- Nikkaji
- J126.341B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 586.529 · 586.529±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at RT.
- pka
- 13.803 · 13.803±0.30(predicted)
- 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 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (97.5%)
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
Chemistry & industry
Applications
UsesS-Benzyl-L-cysteine beta-Naphthylamide
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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