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Basic information
- CAS
3479-47-8- Standard SMILES
O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1- InChIKey
VUKCNAATVIWRTF-INIZCTEOSA-N- Molecular formula
- C19H19NO6
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.12123733
Names & identifiers
- Preferred name
- 4-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate
- IUPAC
- (2S)-4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
- English name
- N-Cbz-L-Aspartic acid 4-benzyl ester
- Molecular formula
- C19H19NO6
- Molecular weight
- 357.36
Names & synonyms
3479-47-84-Benzyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartateDTXSID60188333RefChem:1070172DTXCID901108244-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate222-456-1Z-Asp(OBzl)-OHCbz-Asp(OBzl)-OHN-Cbz-L-aspartic Acid 4-Benzyl EsterMFCD00037820(2S)-4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
Show more names
CBZ-OBzl)-OHZ-L-Asp(Bzl)-OHZ-L-Asp(OBzl)-OHCbz-L-Asp(OBzl)-OHCbz-L-Asp (β-Bzl)OHN-Cbz-L-Aspartic aciZ-ASPARTIC ACID(OBZL)-OH
(S)-4-(Benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoic acid4-Benzyl N-Carbobenzoxy-L-aspartate(2S)-4-(BENZYLOXY)-2-{[(BENZYLOXY)CARBONYL]AMINO}-4-OXOBUTANOIC ACIDN-Carbobenzoxy-L-aspartic Acid 4-Benzyl EsterNSC 163521HY-30231CS-0000174M06226
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Melting point
- 105 · 105-107°C
- Boiling point
- 587.4 · 587.4±50.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 3.63 · 3.63±0.23(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- optical activity
- Consistent with structure
- Water Solubility
- Insoluble in water.
- BRN
- 2065292 · 2065292
- CAS DataBase Reference
- 3479 · 3479-47-8(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- 3077
- hs_code
- 29242990
- risk_code
- 50
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 61
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
UsesIt is widely used as a pharmaceutical intermediate and in food industry.
Upstream & downstream products
Upstream raw materials
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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
8 records
Compound notes
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