Basic information
- CAS
65283-97-8- Standard SMILES
CC(C)c1nnc(N)o1- InChIKey
IIOLDHZNWWMEHN-UHFFFAOYSA-N- Molecular formula
- C5H9N3O
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.07456192
Names & identifiers
- Preferred name
- 5-(Propan-2-yl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-propan-2-yl-1,3,4-oxadiazol-2-amine
- English name
- 5-ISOPROPYL-1,3,4-OXADIAZOL-2-AMINE
- Molecular formula
- C5H9N3O
- Molecular weight
- 127.14
Names & synonyms
65283-97-85-(propan-2-yl)-1,3,4-oxadiazol-2-amineDTXSID10511879RefChem:300635DTXCID20462686858-472-65-isopropyl-1,3,4-oxadiazol-2-amine5-propan-2-yl-1,3,4-oxadiazol-2-amineMFCD090420122-Amino-5-isopropyl-1,3,4-oxadiazolSCHEMBL4714452PB17590
Show more names
5-isopropyl-2-amino-1,3,4-oxadiazole(5-isopropyl-1,3,4-oxadiazol-2-yl)amine5-isopropyl-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)
AS-62340CS-0036527EN300-31308Z285233896BB 0238380FT-07330925-Isopropyl-[1,3,41,3,4-Oxadiazol-2-amine,5-(1-methylethyl)-
Database identifiers
- CAS
65283-97-8- PubChem CID
- 12866706
- DTXSID
DTXSID10511879- EC Number
- 858-472-6
- Nikkaji
- J1.607.778J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.2
Experimental & physicochemical properties
LogP0.2
Physicochemical properties
- Melting point
- 182 · 182-183 °C
- Boiling point
- 236.4 · 236.4±23.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -0.52 · -0.52±0.13(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C5H9N3O/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3,(H2,6,8)
- InChIKey
- IIOLDHZNWWMEHN-UHFFFAOYSA-N
- SMILES
- CC(C)c1nnc(N)o1
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P301+P312-P305+P351+P338
Chemistry & industry
Suppliers21 total
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
武汉海昕药物研究有限公司027-81525288 18086100502 · [email protected]
上海摩纹医药科技有限公司13681854265 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
淮安海玻瑞恩医药研发有限公司18114966287 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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