Basic information
- CAS
220394-91-2- Standard SMILES
O=C=NC1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
JBQXPARAPVCGFW-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609237
Names & identifiers
- Preferred name
- Benzyl 4-isocyanatopiperidine-1-carboxylate
- IUPAC
- benzyl 4-isocyanatopiperidine-1-carboxylate
- English name
- BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
benzyl 4-isocyanatopiperidine-1-carboxylateDTXSID80379943RefChem:566690DTXCID90330969220394-91-2BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE1-Cbz-4-isocyanatopiperidineMFCD026819881-Piperidinecarboxylicacid, 4-isocyanato-, phenylmethyl esterBENZYL4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATEphenylmethyl 4-isocyanatopiperidinecarboxylateSCHEMBL2444559
Show more names
BUTTPARK 75\50-494-isocyanato-2-piperidinecarboxylic acid (phenylmethyl) esterBENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE ISO 9001：2015 REACH
JBQXPARAPVCGFW-UHFFFAOYSA-N1-Piperidinecarboxylic acid, 4-isocyanato-, phenylmethyl esterSBB054896AKOS023413348AB91771benzyl-4-isocyanatopiperidinecarboxylate4-Isocyanatopiperidine, N-CBZ protectedBS-24987
Database identifiers
- CAS
220394-91-2- PubChem CID
- 2776273
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 185 °C · 185 °C
- Density
- 1.196 · 1.196±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 0.49 · 0.490±0.40(predicted)
- CAS DataBase Reference
- 220394 · 220394-91-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2206 · 2206
- Hazard Note
- Harmful
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- ridadr
- 2206
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Chemistry & industry
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海相辉医药科技有限公司[email protected]
湖州澄博生物科技有限公司13626726938
Related reactions
19 records
Compound notes
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