3-Amino-5-phenylpentanoic acid
Basic information
- CAS
91247-38-0- Standard SMILES
NC(CCc1ccccc1)CC(=O)O- InChIKey
CJJYCYZKUNRKFP-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 3-Amino-5-phenylpentanoic acid
- IUPAC
- 3-amino-5-phenylpentanoic acid
- English name
- 3-Amino-5-phenyl-pentanoic acid
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
3-amino-5-phenylpentanoic acid91247-38-03-Amino-5-phenyl-pentanoic aciddl-homobenzyl-beta-alanineMFCD01318914b-Amino-benzenepentanoic acid3-Amino-5-phenylpentanoicacidH-b-Nva(5-phenyl)-OH.HClDL-Homobenzyl- -alanineSCHEMBL45498DTXSID601347590AKOS009158568
Show more names
RARECHEM AL BL 0158DL-Homobenzyl--alanineH-DL-homobenzyl-beta-Ala-OH3-Amino-5-phenyl-valeric acid3-Amino-5-phenylpentanoic acid,98%3-AMINO-5-PHENYLPENTANOIC ACID 98%Benzenepentanoic acid, .beta.-amino-
AB08760AB88541AB89190AC-23539AS-60532SY013389DB-016753DB-057249
Database identifiers
- CAS
91247-38-0- PubChem CID
- 2733736
- DTXSID
DTXSID601347590- EC Number
- 674-819-2
- Nikkaji
- J1.779.403E
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 223 · 223-227 °C
- Boiling point
- 368 ℃ · 368℃
- Density
- 1.133 · 1.133
- refractive index
- 1.5041 · 1.5041 (estimate)
- Flash point
- 177 ℃ · 177℃
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Risk Statements
- 36 · 36
- Safety Statements
- 24 · 24/25-26
- HS Code
- 29224985 · 29224985
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 Irrit. 2 (100%)
Safety data
- hs_code
- 29224985
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-26
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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