Basic information
- CAS
110406-94-5- Standard SMILES
CN1CCCC(NNC(=O)c2ccccc2)CC1- InChIKey
HJCSHXABAVJCGJ-UHFFFAOYSA-N- Molecular formula
- C14H21N3O
- Average molar mass
- 247.34 g/mol
- Monoisotopic mass
- 247.1684623
Names & identifiers
- Preferred name
- 1-Benzoyl-2-(1-methylhexahydro-1H-azepin-4-yl)diazane
- IUPAC
- N'-(1-methylazepan-4-yl)benzohydrazide
- English name
- Benzoic acid, 2-(hexahydro-1-Methyl-1H-azepin-4-yl)hydrazide
- Molecular formula
- C14H21N3O
- Molecular weight
- 247.34
Names & synonyms
110406-94-5Benzoic acid, 2-(hexahydro-1-methyl-1H-azepin-4-yl)hydrazide1-Benzoyl-2-(1-methylhexahydro-1H-azepin-4-yl)diazaneUNII-X4157Q0DP6X4157Q0DP6Azelastine hydrochloride impurity B [EP]1-Benzoyl-2-((4RS)-1-methylhexahydro-1H-azepin-4-yl)diazaneAZELASTINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]Azelastine Hydrochloride Impurity BAZELASTINE HYDROCHLORIDE IMPURITY B (EP IMPURITY)RefChem:197001(+-)-1-BENZOYL-2-(1-METHYLHEXAHYDRO-1H-AZEPIN-4-YL)DIAZANE
Show more names
Methylazepan benzohydrazideAzelastine EP Impurity B DiHClN'-(1-methylazepan-4-yl)benzohydrazide hydrochlorideN''-[(4RS)-1-Methylhexahydro-1H-azepin-4-yl]benzohydrazide1-Benzoyl-2-[(4RS)-1-methylhexahydro-1H-azepin-4-yl]diazane
1-BENZOYL-2-(1-METHYLHEXAHYDRO-1H-AZEPIN-4-YL)DIAZANE, (+-)-N'-(1-Methylazepan-4-yl)benzohydrazideAzelastine EP Impurity B(+/-)-1-Benzoyl-2-(1-methylhexahydro-1H-azepin-4-yl)diazane1-Benzoyl-2-(1-methylhexahydro-1H-azepin-4-yl)diazane, (+/-)-Azelastine impurity B CRSSCHEMBL10559795AKOS016006643
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 345.6 · 345.6±42.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.44 · 12.44±0.20(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C14H21N3O/c1-17-10-5-8-13(9-11-17)15-16-14(18)12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18)
- InChIKey
- HJCSHXABAVJCGJ-UHFFFAOYSA-N
- SMILES
- N1(CCC(CCC1)NNC(=O)c2ccccc2)C
- FDA UNII
- 4157 Q0DP6 · X4157Q0DP6
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN'-(1-Methylazepan-4-yl)benzohydrazide Hydrochloride is a useful reagent for the preparation of antiallergy agents.
Suppliers29 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
ChemeGen 中国18818260767 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海升德医药科技有限公司+86-021-50266790 18317173152 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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