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760-78-1 molecular structure
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2-aminopentanoic acid

ChemBase ID: 102663
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
CCCC(N)C(=O)O
Canonical SMILES:
CCCC(C(=O)O)N
InChI:
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey:
SNDPXSYFESPGGJ-UHFFFAOYSA-N

Cite this record

CBID:102663 http://www.chembase.cn/molecule-102663.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopentanoic acid
IUPAC Traditional name
2-aminopentanoic acid
Nva
Synonyms
DL-2-Aminopentanoic acid
DL-NORVALINE
Norvaline
(+/-)-2-Aminopentanoic acid
DL-2-Aminovaleric acid
2-Aminopentanoic acid
(±)-2-Aminopentanoic acid
DL-Norvaline
DL-戊氨酸
CAS Number
760-78-1
6600-40-4
EC Number
212-082-7
MDL Number
MFCD00064421
MFCD00064420
Beilstein Number
1721163
Merck Index
146716
PubChem SID
24897829
162088717
PubChem CID
824

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7136745  H Acceptors
H Donor LogD (pH = 5.5) -1.8736948 
LogD (pH = 7.4) -1.8761299  Log P -1.8733752 
Molar Refractivity 29.6223 cm3 Polarizability 12.004493 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - N7502 external link
Biochem/physiol Actions
DL-Norvaline is a neurotransmitter.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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