Basic information
- CAS
98953-13-0- Standard SMILES
NNC(=O)c1ccc2c(c1)OCCO2- InChIKey
YENPHHQNXHYBCE-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- 2,3-Dihydro-1,4-benzodioxine-6-carbohydrazide
- IUPAC
- 2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
- English name
- 2,3-Dihydro-1,4-benzodioxine-6-carbohydrazide
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
98953-13-02,3-dihydro-1,4-benzodioxine-6-carbohydrazideDTXSID50398085RefChem:244695DTXCID503489442,3-Dihydrobenzo[b][1,4]dioxine-6-carbohydrazideMFCD015364512,3-DIHYDRO-BENZO[B][1,4]DIOXINE-6-CARBOHYDRAZIDE2H,3H-benzo[e]1,4-dioxane-6-carbohydrazide1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-, hydrazideChemDiv1_000585Oprea1_206695
Show more names
2,3-Dihydro-benzo[b][1,4]dioxin-6-carbohydrazide2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid hydrazide2,3-dihydro-1,4-Benzodioxin-6-carboxylic acid hydrazide (9CI ACI)1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-, hydrazide (9CI, ACI)
SCHEMBL6581336CHEMBL2381119HMS588K13SBB021064STK030313AKOS000295857UPCMLD0ENAT5540169:001AS-92688
Database identifiers
- CAS
98953-13-0- PubChem CID
- 3936705
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 141 °C · 141 °C(Solv: water (7732-18-5))
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Chemistry & industry
Suppliers15 total
山东普创医药科技有限公司18953403321 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽博揽生物医药科技有限公司17686525805 17686525805 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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