Basic information
- CAS
1899-48-5- Standard SMILES
Nc1nc(N)c2ccccc2n1- InChIKey
XELRMPRLCPFTBH-UHFFFAOYSA-N- Molecular formula
- C8H8N4
- Average molar mass
- 160.18 g/mol
- Monoisotopic mass
- 160.07489627
Names & identifiers
- Preferred name
- 2,4-Diaminoquinazoline
- IUPAC
- quinazoline-2,4-diamine
- English name
- 2,4-Diaminoquinazoline
- Molecular formula
- C8H8N4
- Molecular weight
- 160.18
Names & synonyms
1899-48-52,4-Diaminoquinazoline2,4-QuinazolinediamineR3UB0T78ELNSC-403373DTXSID20172415RefChem:82286DTXCID4094906Quinazoline-2,4-diamineQuinazolinediamineMFCD002360322,4-Quinazolinediamine #
Show more names
2,4-DIAMINOQUINAZOLINE, 98+%(2-aminoquinazolin-4-yl)amine
NSC 403373SRI 93BDBM14323(2-amino-quinazolin-4-yl)-amineQUINAZOLINE, 2,4-DIAMINO-NSC403373AKOS015897034F15693
Database identifiers
- CAS
1899-48-5- PubChem CID
- 65087
- DTXSID
DTXSID20172415- ChEMBL
CHEMBL268354- UNII
- R3UB0T78EL
- EC Number
- 681-614-1
- Nikkaji
- J272.192I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
LogP1.0
Physicochemical properties
- Melting point
- 254 · 254-258°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- Appearance
- White to yellow Solid
- BRN
- 131578 · 131578
- InChI
- InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
- InChIKey
- XELRMPRLCPFTBH-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=CC=C2)=C(N)N=C1N
- FDA UNII
- 3 UB0T78EL · R3UB0T78EL
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
Danger
H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (16.7%)
Safety data
- wgk
- WGK 3
- risk_code
- 36/37/38-36-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 26-36-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers47 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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