Basic information
- CAS
18605-26-0- Standard SMILES
CC(C)(C)OC(=O)CCNC(=O)OCc1ccccc1- InChIKey
RLEOEDXSMUQCMZ-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate
- IUPAC
- tert-butyl 3-(phenylmethoxycarbonylamino)propanoate
- English name
- N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester
- Molecular formula
- C15H21NO4
- Molecular weight
- 279.33
Names & synonyms
18605-26-0tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoateMFCD03837779tert-butyl 3-(phenylmethoxycarbonylamino)propanoateN-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl esterTERT-BUTYL 3-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATEN-Cbz-b-alanine tert-butyl esterCbz-|A-Ala-Otbutert-Butyl3-(((benzyloxy)carbonyl)amino)propanoateorb3176809SCHEMBL6049741DTXSID10404555
Show more names
Z-β-Ala-OtbuCbz-β-Ala-OtbuCbz-β-Alanine tert-butyl esterN-Cbz-beta-alanine tert-butyl estertert-butyl 3-(benzyloxycarbonyl)propanoateert-butyl3-(phenylmethoxycarbonylamino)propanoateN-benzyloxycarbonyl-BET-A-propylaminoacidtertbutyl ester
AKOS015909970DS-3737DA-08908SY073809CS-0318385tert-butyl 3-(benzyloxycarbonylamino)propanoate10.14272/RLEOEDXSMUQCMZ-UHFFFAOYSA-N.1F226929
Database identifiers
- CAS
18605-26-0- PubChem CID
- 4585488
- DTXSID
DTXSID10404555- Nikkaji
- J898.325I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 409.3 · 409.3±38.0 °C(Predicted)
- Density
- 1.101 · 1.101
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.99 · 11.99±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers25 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
天津卡普希科技有限公司022-66211079 13212288319 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海凯普新生物科技有限公司17821452002; 17821452002 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
四川嘉瑛莱科技有限责任公司9018 15982359653 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
肇庆市万维新材料科技有限公司0755-1328880-4488 13049823633;13068786899;13288804488 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
淮北德商生物科技有限公司0561-2337889 13515618601 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
山东滨晨化工有限公司13837799094 18351216136 · [email protected]
重庆卡兰医药有限公司[email protected]
四川鸿日医药科技有限公司1898-2685405 18380436509 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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