Basic information
- CAS
25691-37-6- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCN)C(=O)O- InChIKey
MDCPCLPRWLKUIQ-LURJTMIESA-N- Molecular formula
- C9H18N2O4
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.12665706
Names & identifiers
- Preferred name
- (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid
- IUPAC
- (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- Boc-L-2,4-diaminobutyric acid
- Molecular formula
- C9H18N2O4
- Molecular weight
- 218.25
Names & synonyms
(2S)-4-amino-2-{[(tert-butoxy)carbonyl]amino}butanoic acid(2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acidRefChem:398624624-609-125691-37-6Boc-L-2,4-diaminobutyric acidBoc-Dab-OH(S)-4-Amino-2-((tert-butoxycarbonyl)amino)butanoic acidMFCD00236841N-Boc-4-amino-L-homoalanine1266500-89-3(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Show more names
BOC-DABBOC-L-DAB-OHN-alpha-Ac-Nγ(Tert-Butoxy)Carbonyl Dab-OHBoc-L-2,4-Dlaminobutyrlc AcidN?Boc-L-2,4-diaminobutyric acid
(S)-4-Amino-2-(tert-butoxycarbonylamino)butanoic acid(S)-4-Amino-2-(Boc-amino)butanoic Acid(2S)-4-azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate(S)-4-Amino-2-(tert-butoxycarbonylamino)butyric Acid(2S)-4-AMINO-2-[(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID(2S)-4-Amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]butanoic acidNa-Boc-L-2,4-diaminobutyric acidN-|A-Boc-L-2,4-Diaminobutyric acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 192 · 192-194 °C
- Boiling point
- 385.5 · 385.5±37.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Methanol (Sparingly), Water (Slightly)
- form
- Powder
- pka
- 3 · 3+-.0.10(Predicted)
- color
- White to off-white
- optical activity
- 7.5 · [α]/D +7.5±1°, c = 1 in methanol: water (1:1)
- BRN
- 4745487 · 4745487
- CAS DataBase Reference
- 25691 · 25691-37-6(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P264-P280a-P310a-P321-P332+P313
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- 3265
- hs_code
- 2922.49.8000
- risk_code
- 38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- 8
- packing_group
- Ⅲ
- Hazard statements
- H315-H318
- Precautionary statements
- P280-P305+P351+P338-P264-P280a-P310a-P321-P332+P313
Chemistry & industry
Applications
UsesBoc-L-2,4-diaminobutyric acid is a reagent used to synthesize somatostatin antagonist. It can also be used to develop blood coagulation factor Xa inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Related reactions
37 records
Compound notes
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