Basic information
- CAS
13726-67-5- Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)O- InChIKey
KAJBMCZQVSQJDE-UHFFFAOYSA-N- Molecular formula
- C9H15NO6
- Average molar mass
- 233.22 g/mol
Names & identifiers
- Preferred name
- (Tert-butoxycarbonyl)aspartic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
- English name
- Boc-Asp-OH
- Molecular formula
- C9H15NO6
- Molecular weight
- 233.22
Names & synonyms
Boc-DL-aspartic acid120341-32-4(tert-butoxycarbonyl)aspartic acidMFCD237155532-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid2-{[(tert-butoxy)carbonyl]amino}butanedioic acidBoc-DL-AspBoc-DL-Asp-OHN.alpha.-tert-Butyloxycarbonylaspartic acidN-(t-boc)-aspartic acidSCHEMBL3323682KAJBMCZQVSQJDE-UHFFFAOYSA-N
Show more names
BOC-ASPBOC-L-ASPN-BOC-L-ASPARTIC ACIDN-(TERT-BUTOXYCARBONYL)-L-ASPARTIC ACIDENC2372947BOC-ASP-OHBOC-L-ASP-OHBOC-L-AspaticBoc-L-aspartateBoc-Asp-OH, 〉98%
tert-Butoxycarbonyl-L-aspartic acidAC9558NSC186910AKOS016608298AB01643AB07212NSC-186910Aspartic acid, N-tert-butyl ester, L-
Database identifiers
- CAS
13726-67-5- PubChem CID
- 302432
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 116 · 116-118 °C(lit.)
- alpha
- -6 · -6 º (c=1, MeOH)
- Boiling point
- 375.46 °C · 375.46°C (rough estimate)
- Density
- 1.3397 · 1.3397 (rough estimate)
- refractive index
- 1.464 · 1.4640 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.77 · 3.77±0.23(Predicted)
- form
- Crystalline Powder
- color
- White to off-white
- optical activity
- 20 · [α]20/D 6.0°, c = 1 in methanol
- BRN
- 1913973 · 1913973
- Major Application
- peptide synthesis
- InChI
- 1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1
- InChIKey
- KAJBMCZQVSQJDE-YFKPBYRVSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(O)=O
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924 19 00
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesN-Boc-L-aspartic acid is an N-Boc-protected form of L-Aspartic acid (A790024). L-Aspartic acid is a nonessential amino acid that is used to biosynthesize other amino acids within the human body. L-Aspartic acid also increases membrane conductance of mammalian neurons by voltage-dependent means, causing depolarization and nerve impulses that travel to key areas of the central nervous system.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers102 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]
Related reactions
2 records
Compound notes
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