Basic information
- CAS
49721-45-1- Standard SMILES
Nc1ncnc(N)c1N.O=S(=O)(O)O- InChIKey
RKJICTKHLYLPLY-UHFFFAOYSA-N- Molecular formula
- C4H9N5O4S
- Average molar mass
- 223.21 g/mol
- Monoisotopic mass
- 223.03752477
Names & identifiers
- Preferred name
- 4,5,6-Pyrimidinetriamine, sulfate (1:1)
- IUPAC
- pyrimidine-4,5,6-triamine;sulfuric acid
- English name
- 4,5,6-Triaminopyrimidine sulfate
- Molecular formula
- C4H9N5O4S
- Molecular weight
- 223.21
Names & synonyms
49721-45-14,5,6-Triaminopyrimidine sulfate4,5,6-Pyrimidinetriamine, sulfate (1:1)NSC-49184DTXSID90885904X2785VA26WRefChem:911856DTXCID001025261256-446-3691-524-4Pyrimidine-4,5,6-triamine sulfate4,5,6-Pyrimidinetriamine, sulfate
Show more names
NSC 491844,5,6-Triaminopyrimidine sulfate 98%4,5,6-pyrimidinetriamine,sulfate(1:1)4,5,6-TRIAMINOPYRIMIDINE SULFATE SALT4,5,6-TRIAMINO PYRIMIDINE MONOSULFATE4,5,6-Triaminopyrimidine sulfate, 98+%
68738-86-3Pyrimidine-4,5,6-triamine sulphatepyrimidine-4,5,6-triamine; sulfuric acidpyrimidine-4,5,6-triamine;sulfuric acidMFCD00012789Pyrimidine-4,5,6-triamine sulphate (1:1)4,5,6-Triaminopyrimidine sulphateC4H9N5O4S
Database identifiers
- CAS
49721-45-1、68738-86-3- PubChem CID
- 111544
- DTXSID
DTXSID90885904- UNII
- X2785VA26W
- EC Number
- 256-446-3、272-116-1
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- color
- white to yellow
- CAS DataBase Reference
- 49721 · 49721-45-1(CAS DataBase Reference)
- FDA UNII
- 2785 VA26W · X2785VA26W
- EPA Substance Registry System
- 4 · 4,5,6-Pyrimidinetriamine, sulfate (1:1) (49721-45-1)
- 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
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful/Irritant
- TSCA
- TSCA listed
- HS Code
- 29335990 · 29335990
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
4,5,6-Pyrimidinetriamine, sulfate (1:1): INACTIVE
4,5,6-Pyrimidinetriamine, sulfate (1:?): INACTIVE
Applications
General Description4,5,6-Triaminopyrimidine sulfate was converted to 4,5,6-triaminopyrimidine sulfite by formylation with C13 labeled formic acid that was used in the preparation of adenine labeled with C13.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers49 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
Wuhu Nuowei chemistry Co., Ltd.+86-0553-2911116-802 +86-18055326116 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[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]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
深圳市巴克化工科技有限公司18825257575 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
常州永峰生物医药有限公司15006117673
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
3 records
Compound notes
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