(2S)-2-aminoheptanoic acid
Basic information
- CAS
44902-02-5- Standard SMILES
CCCCC[C@H](N)C(=O)O- InChIKey
RDFMDVXONNIGBC-LURJTMIESA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Overview
L-2-aminoheptanoic acid is an optically active form of 2-aminoheptanoic acid having L-configuration.
Names & identifiers
- Preferred name
- (2S)-2-aminoheptanoic acid
- IUPAC
- (2S)-2-aminoheptanoic acid
- English name
- S-2-Aminoheptanoic acid
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
(2S)-2-aminoheptanoic acidRefChem:398382969-609-5(S)-2-Aminoheptanoic acid44902-02-5S-2-Aminoheptanoic acidL-2-Aminoheptanoic acidL-Homonorleucinehomonorleucine2S-aminoheptanoic acidMFCD08275754Heptanoic acid, 2-amino-, (S)-
Show more names
Nsc206253Sa2-aminoheptanoicacidHeptanoic acid, 2-amino-, (2S)-S-2-AMinoheptanoic acid S-2-AMinoheptanoic acid
2-aminoheptanoateCHEBI:40682(S)-2-AminoheptanoicacidH-Ahp(2)-OH(S)-2-AminohepL-2-Amino-heptanoic acidCHEMBL73530(2S)-2-Amino-heptanoic acid
Database identifiers
- CAS
44902-02-5- PubChem CID
- 5312965
- DTXSID
DTXSID90415624- ChEMBL
CHEMBL73530- ChEBI
CHEBI:40682- EC Number
- 969-609-5
- Nikkaji
- J1.723.202I
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Physicochemical properties
- Melting point
- 269 · 269-271 °C
- Boiling point
- 251 · 251.0±23.0 °C(Predicted)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.55 · 2.55±0.24(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Applications
Uses(S)-2-Aminoheptanoic Acid is used in method and compound for retaining nutrients in soil at planting sites.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: L-2-aminoheptanoic acid is an optically active form of 2-aminoheptanoic acid having L-configuration.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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