Home > Compound List > Compound details
327-57-1 molecular structure
click picture or here to close

2-aminohexanoic acid

ChemBase ID: 102661
Molecular Formular: C6H13NO2
Molecular Mass: 131.17292
Monoisotopic Mass: 131.09462866
SMILES and InChIs

SMILES:
CCCCC(N)C(=O)O
Canonical SMILES:
CCCCC(C(=O)O)N
InChI:
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKey:
LRQKBLKVPFOOQJ-UHFFFAOYSA-N

Cite this record

CBID:102661 http://www.chembase.cn/molecule-102661.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminohexanoic acid
IUPAC Traditional name
2-aminohexanoic acid
norleucine
Brand Name
Amicar
Synonyms
DL-2-Aminohexanoic acid
DL-2-Aminocaproic acid
DL-NORLEUCINE
(+/-)-2-Aminohexanoic acid
H-DL-Nle-OH
(±)-2-Aminocaproic acid
2-Aminohexanoic acid
DL-Norleucine
Caprine
Glycoleucine
Norleucine
Aminocaproic acid
2-aminohexanoic acid
DL-正亮氨酸
CAS Number
327-57-1
616-06-8
60-32-2
EC Number
210-462-7
MDL Number
MFCD00064422
Beilstein Number
1721748
Merck Index
146706
PubChem SID
24897485
162088716
24886697
PubChem CID
564
9475
CHEBI ID
36405
16586
ATC CODE
B02AA01
CHEMBL
1046
Chemspider ID
401917
548
DrugBank ID
DB00513
DB04419
Gmelin ID
464584
KEGG ID
D00160
C01933
MeSH Name
Norleucine
Unique Ingredient Identifier
U6F3787206
832C8OV84S
Wikipedia Title
Norleucine
Aminocaproic_acid
Medline Plus
a608023

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.787851  H Acceptors
H Donor LogD (pH = 5.5) -1.4290233 
LogD (pH = 7.4) -1.431352  Log P -1.4286288 
Molar Refractivity 34.2233 cm3 Polarizability 13.835553 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
16 g/l at 23 °C in water expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
300 - 302°C expand Show data source
301 °C (decomposes) expand Show data source
327°C expand Show data source
Density
1.17 g/ml expand Show data source
Hydrophobicity(logP)
-1.537 expand Show data source
pKa
2.39 (carboxyl), 9.76 (amino) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
RC6308000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
43 expand Show data source
Safety Statements
36/37 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
Half Life
2 hours expand Show data source
Metabolism
Renal expand Show data source
Purity
≥99.0% (NT) expand Show data source
95% expand Show data source
98% expand Show data source
98-99% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)3CH(NH2)COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 02102482 external link
Purity: 98-99%
Crystalline

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle