Basic information
- CAS
700-81-2- Standard SMILES
Nc1ncc2nccnc2n1- InChIKey
HYCZDWGCJOEHBO-UHFFFAOYSA-N- Molecular formula
- C6H5N5
- Average molar mass
- 147.14 g/mol
- Monoisotopic mass
- 147.05449518
Names & identifiers
- Preferred name
- Pteridin-2-amine
- IUPAC
- pteridin-2-amine
- English name
- 2-Pteridinamine (9CI)
- Molecular formula
- C6H5N5
- Molecular weight
- 147.14
Names & synonyms
pteridin-2-amineRefChem:870296862-594-5700-81-22-PTERIDINAMINEpteridine, 2-amino-SCHEMBL2009616SCHEMBL2009621SCHEMBL7355670SCHEMBL30175533DTXSID40358653AAA70081
Show more names
2-Pteridinamine (9CI)
AKOS006341343DB-261418D86132EN300-218384Z1203578542
Database identifiers
- CAS
700-81-2- PubChem CID
- 907652
- DTXSID
DTXSID40358653- EC Number
- 862-594-5
- Nikkaji
- J43.316K
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 257.23 °C · 257.23°C (rough estimate)
- Density
- 1.3913 · 1.3913 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- Water Solubility
- 740.2 mg/L · 740.2mg/L(22.5 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H332-H312-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
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, P317, 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
- H319-H315-H332-H312-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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