Basic information
- CAS
539-23-1- Standard SMILES
CCCCOc1ccc(N)cn1- InChIKey
DAFKCYYRSZSMAJ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.11061307
Names & identifiers
- Preferred name
- 5-Amino-2-butoxypyridine
- IUPAC
- 6-butoxypyridin-3-amine
- English name
- 5-Amino-2-butoxypyridine
- Molecular formula
- C9H14N2O
- Molecular weight
- 166.22
Names & synonyms
539-23-15-Amino-2-butoxypyridine3-Pyridinamine, 6-butoxy-3-Amino-6-butoxypyridinePyridine, 5-amino-2-butoxy-IJ8NQB0OM7NSC 60269BRN 0125571UNII-IJ8NQB0OM7NSC-602696-BUTOXY-3-PYRIDINAMINEDTXSID20202165
Show more names
6-butoxy-3-pyridinamin5-amino-2-butoxy-pyridin
4-22-00-05574 (Beilstein Handbook Reference)RefChem:101930DTXCID201246563-Pyridinamine, 6-butoxy-(9CI)6-butoxypyridin-3-amineNSC60269MFCD000234696-Butoxy-3-aminopyridin
Database identifiers
- CAS
539-23-1- PubChem CID
- 68314
- DTXSID
DTXSID20202165- ChEMBL
CHEMBL3277167- UNII
- IJ8NQB0OM7
- EC Number
- 892-936-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 294.44 °C · 294.44°C (rough estimate)
- Density
- 1.037 · 1.0370
- refractive index
- 1.5373 · 1.5373 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 5.01 · 5.01±0.22(Predicted)
- FDA UNII
- 8 NQB0OM7 · IJ8NQB0OM7
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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%)
Chemistry & industry
Suppliers9 total
赛纳斯特化学（欢迎点击联系）021-60343070
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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