Basic information
- CAS
32900-36-0- Standard SMILES
CN1CCCNc2ccccc21- InChIKey
QTUHHZFSIDSGRC-UHFFFAOYSA-N- Molecular formula
- C10H14N2
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.11569846
Names & identifiers
- Preferred name
- 1-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- IUPAC
- 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
- English name
- 1-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- Molecular formula
- C10H14N2
- Molecular weight
- 162.23
Names & synonyms
32900-36-01-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepineDTXSID30474811RefChem:231551DTXCID70425625828-298-51-methyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepineSCHEMBL2631721SCHEMBL7352437SCHEMBL7352444SCHEMBL18228523
Show more names
2,3,4,5-Tetrahydro-1-methyl-1H-1,5-benzodiazepine1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-1-methyl-
QTUHHZFSIDSGRC-UHFFFAOYSA-NMFCD09907834AKOS006312106EN300-81781Z1198237679
Database identifiers
- CAS
32900-36-0- PubChem CID
- 11961606
- DTXSID
DTXSID30474811- EC Number
- 828-298-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 286.1 · 286.1±19.0 °C(Predicted)
- Density
- 1.007 · 1.007±0.06 g/cm3(Predicted)
- pka
- 8.53 · 8.53±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesA tetrahydrobenzodiazepine derivative as vasopressin V2 receptor agonist
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
Loading…