Basic information
- CAS
1349708-97-9- Standard SMILES
Nc1ccnn1C1COC1- InChIKey
XKHSVLAFKPJITN-UHFFFAOYSA-N- Molecular formula
- C6H9N3O
- Average molar mass
- 139.16 g/mol
- Monoisotopic mass
- 139.07456192
Names & identifiers
- Preferred name
- 1-(oxetan-3-yl)-1H-pyrazol-5-amine
- IUPAC
- 2-(oxetan-3-yl)pyrazol-3-amine
- English name
- 1-(Oxetan-3-yl)-1H-pyrazol-5-amine
- Molecular formula
- C6H9N3O
- Molecular weight
- 139.16
Names & synonyms
1-(oxetan-3-yl)-1H-pyrazol-5-amine1349708-97-92-Oxetan-3-yl-2H-pyrazol-3-ylamine2-(oxetan-3-yl)pyrazol-3-amineMFCD20233066SCHEMBL28650600ZDC708971-(3-Oxetanyl)-1H-pyrazol-5-amineAKOS024160786AS-34828DB-406562CS-0052817
Show more names
1H-Pyrazol-5-amine, 1-(3-oxetanyl)-2-Oxetan-3-yl-2H-pyrazol-3-ylamine - [O8540]
1-?(3-?oxetanyl)?-1H-?pyrazol-?5-?amineEN300-816144F069988
Database identifiers
- CAS
1349708-97-9- PubChem CID
- 56604366
- EC Number
- 193-906-1
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 339 · 339.0±32.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 3.24 · 3.24±0.19(Predicted)
- Appearance
- orange solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Suppliers16 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
合肥钼凯医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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