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Basic information
- CAS
305-62-4- Standard SMILES
NCCC(N)C(=O)O- InChIKey
OGNSCSPNOLGXSM-UHFFFAOYSA-N- Molecular formula
- C4H10N2O2
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.07422756
Overview
2,4-diaminobutyric acid is a diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups. It is a gamma-amino acid, a diamino acid and a non-proteinogenic alpha-amino acid. It is functionally related to a butyric acid.
Names & identifiers
- Preferred name
- 2,4-Diaminobutyric acid
- IUPAC
- 2,4-diaminobutanoic acid
- English name
- 2,4-Diamino-butyric acid
- Molecular formula
- C4H10N2O2
- Molecular weight
- 118.13
Names & synonyms
2,4-Diaminobutanoic acid305-62-42,4-Diaminobutyric acidButanoic acid, 2,4-diamino-alpha,gamma-Diaminobutyric acid92V7KM11ZKCHEBI:64307DTXSID808627492,4-DIAMINOBUTYRIC ACID, DL-RefChem:908736DTXCID00811471206-166-2
Show more names
RARECHEM AK ZA 00032,4-diaminobutyricaci2,4-diaminobutanoicacid2,4-diamino-butanoicaciα,γ-Diaminobutyric acidR,S-2,4-DIAMINOBUTYRIC ACID2,4-bis(azanyl)butanoic acid
DL-2,4-Diaminobutyric acid2,4-Diamino-butyric acid2,4-diamino-butanoic acidButyric acid, 2,4-diamino-DL-2,4-Diamino-n-butyric acidCHEMBL307931(RS)-2,4-Diaminobutyric acid6970-28-1
Database identifiers
- CAS
305-62-4- PubChem CID
- 470
- DTXSID
DTXSID80862749- ChEMBL
CHEMBL307931- ChEBI
Properties
Computed structural propertiesFilling in
- XLogP
- -4.6
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
LogP-4.64
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 144 °C · 144 °C
- Boiling point
- 220.67 °C · 220.67°C (rough estimate)
- Density
- 1.2188 · 1.2188 (rough estimate)
- refractive index
- 1.4386 · 1.4386 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 1.85 · 1.85, 8.24, 10.44(at 25℃)
- InChI
- 1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
- InChIKey
- OGNSCSPNOLGXSM-UHFFFAOYSA-N
- SMILES
- NC(C(O)=O)CCN
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 Sens. 1 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P280-P333+P313-P337+P313-P362+P364
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses2,4-Diaminobutanoic Acid is a useful starting material.
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海易恩化学技术有限公司
Related reactions
1 records
Compound notes
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