Basic information
- CAS
1004-38-2- Standard SMILES
Nc1cc(N)nc(N)n1- InChIKey
JTTIOYHBNXDJOD-UHFFFAOYSA-N- Molecular formula
- C4H7N5
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.07014524
Names & identifiers
- Preferred name
- 2,4,6-Triaminopyrimidine
- IUPAC
- pyrimidine-2,4,6-triamine
- English name
- 2,4,6-Triaminopyrimidine
- Molecular formula
- C4H7N5
- Molecular weight
- 125.13
Names & synonyms
2,4,6-Triaminopyrimidine1004-38-22,4,6-PYRIMIDINETRIAMINECHEBI:39857NSC-26493D6ZP6F2ECKDTXSID3061394RefChem:82075DTXCID5032527213-720-7pyrimidine-2,4,6-triaminePyrimidine-2,4,6-triyltriamine
Show more names
TRIAMINOPYRIMIDINEAKOS UB-202162,4,6-TriaminoIFLAB-BB F1918-00506-TriaMinopyriMidine2,4,6-Traminopyrimidne2,4,6-Triaminopyrimidin2,4,6-Triamino PyridinePyrimidin-2,4,6-triamin
MFCD00006100Pyrimidine, 2,4,6-triamino-CHEMBL571518Triamino pyrimidine2,4,6-Pyrimidinetriamine; Pyrimidine, 2,4,6-triamino- (6CI,7CI,8CI); 2,4,6-Triaminopyrimidine; NSC 26493; Pyrimidine-2,4,6-triamine3AYEINECS 213-720-7NSC 26493
Database identifiers
- CAS
1004-38-2- PubChem CID
- 13863
- DTXSID
DTXSID3061394- ChEMBL
CHEMBL571518- ChEBI
CHEBI:39857- UNII
- D6ZP6F2ECK
- EC Number
- 213-720-7
- Nikkaji
- J146.967C
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 249 · 249-251 °C (lit.)
- Boiling point
- 222.58 °C · 222.58°C (rough estimate)
- Density
- 1.2938 · 1.2938 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.71 · 1.7100 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO(Sparingly),Methanol(Slightly)
- form
- Powder
- pka
- 6.84 · 6.84(at 20℃)
- color
- Off-white to beige
- Water Solubility
- 36.5 g/L · 36.5 g/L (20 ºC)
- BRN
- 118448 · 118448
- InChI
- 1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
- InChIKey
- JTTIOYHBNXDJOD-UHFFFAOYSA-N
- SMILES
- Nc1cc(N)nc(N)n1
- LogP
- -1.95 at · -1.95 at 25℃
- CAS DataBase Reference
- 1004 · 1004-38-2(CAS DataBase Reference)
- FDA UNII
- 6 ZP6F2ECK · D6ZP6F2ECK
- EPA Substance Registry System
- 2 · 2,4,6-Pyrimidinetriamine (1004-38-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29335990 · 29335990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (29.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (70%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919
Hazard Classes and CategoriesSkin Irrit. 2 (30%)；Eye Irrit. 2 (30%)；STOT SE 3 (29.3%)；Aquatic Chronic 3 (70%)
Regulatory information
Regulatory InformationStatus: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4,6-Pyrimidinetriamine: ACTIVE
Applications
Uses2,4,6-Triaminopyrimidine is an organic cation used to block paracellular conductance pathways of several epithelia in the rat kidney, ultimately affecting sodium and potassium excretion.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
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南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海弘邦医药科技有限公司021-021-64975436 18917636693 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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安徽科迪达化工有限公司0554-2106669 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
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上海有朋化工有限公司021-69005955 13701776567 · [email protected]
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上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
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北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
Additional notes
DefinitionChEBI: An aminopyrimidine in which a pyrimidine core carries amino substituents at positions 2, 4 and 6.
Related reactions
19 records
Compound notes
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