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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
3479-47-8- PubChem CID
- 47602
- DTXSID
DTXSID60188333- EC Number
- 222-456-1
- Nikkaji
- J79.807J
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
- Precautionary statements
- 210 · 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
- Risk Statements
- 50 · 50
- Safety Statements
- 61 · 61
- RIDADR
- 3077 · 3077
- WGK Germany
- 3 · 3
- HS Code
- 29242990 · 29242990
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]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
ChemPep, Inc.+1 (888) 615-9178 / (561) 791-8787 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
四川安派博生物科技有限公司028-65294243 18682730901 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
Related reactions
8 records
Compound notes
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