Basic information
- CAS
444891-21-8- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(C#N)c2ccccc2)CC1- InChIKey
MKDYPPSXUMRRJU-UHFFFAOYSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.17902698
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-(cyanophenylmethyl)-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[cyano(phenyl)methyl]piperazine-1-carboxylate
- English name
- tert-Butyl4-(cyano(phenyl)methyl)piperazine-1-carboxylate
- Molecular formula
- C17H23N3O2
- Molecular weight
- 301.38
Names & synonyms
444891-21-8RefChem:2139151,1-Dimethylethyl 4-(cyanophenylmethyl)-1-piperazinecarboxylateTERT-BUTYL 4-(CYANO(PHENYL)METHYL)PIPERAZINE-1-CARBOXYLATEtert-butyl 4-[cyano(phenyl)methyl]piperazine-1-carboxylateMFCD09910427TERT-BUTYL4-(CYANO(PHENYL)METHYL)PIPERAZINE-1-CARBOXYLATEAR3578SCHEMBL1732401DTXSID20672829MKDYPPSXUMRRJU-UHFFFAOYSA-NAKOS022324019
Show more names
Nicotinamide Impurity 205Tert-Butyl 4-(Cyano(Phenyl)Methyl)Piperazine-1-Carboxylate(WXC04232)1-Piperazinecarboxylic acid, 4-(cyanophenylmethyl)-, 1,1-dimethylethyl ester
MB08205AS-45641DB-371956CS-0035551EN300-7418124F306544
Database identifiers
- CAS
444891-21-8- PubChem CID
- 45926010
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
淮安海玻瑞恩医药研发有限公司18114966287 · [email protected]
Related reactions
1 records
Compound notes
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