Basic information
- CAS
885270-23-5- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(=N)N)CC1- InChIKey
ZDZXZKQTFNUKKG-UHFFFAOYSA-N- Molecular formula
- C11H21N3O2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.16337691
Names & identifiers
- Preferred name
- Tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
- English name
- tert-butyl 4-amidinopiperidine-1-carboxylate
- Molecular formula
- C11H21N3O2
- Molecular weight
- 227.3
Names & synonyms
885270-23-5tert-butyl 4-carbamimidoylpiperidine-1-carboxylate1-BOC-4-PIPERIDINAMIDINE1-Boc-4-AmidinopiperidineTERT-BUTYL 4-AMIDINOPIPERIDINE-1-CARBOXYLATEMFCD056639564-Carbamimidoyl-piperidine-1-carboxylic acid tert-butyl ester1-BOC-PIPERIDINE-4-CARBOXAMIDINE1-piperidinecarboxylic acid, 4-(aminoiminomethyl)-, 1,1-dimethylethyl esterSCHEMBL3116351-Boc-4- carbamimidoylpiperidineDTXSID40660824
Show more names
1,1-Dimethylethyl 4-(aminoiminomethyl)-1-piperidinecarboxylate
ZDZXZKQTFNUKKG-UHFFFAOYSA-N4-carbamimidoyl-1-piperidinecarboxylic acid tert-butyl esterAKOS010691171AB22056s12008NS-02880SY020459DB-092508
Database identifiers
- CAS
885270-23-5- PubChem CID
- 44828660
- DTXSID
DTXSID40660824
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 330.1 · 330.1±52.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 12 · 12.00±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers47 total
苏州申拓医药科技有限公司13911244683 18151949202
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海仁曲医药科技有限公司18171398856 2968382473 · [email protected]
上海洪创医药科技有限公司
Related reactions
4 records
Compound notes
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