Basic information
- CAS
55551-49-0- Standard SMILES
CN(C)c1ncc(C=O)cn1- InChIKey
XBYXYDVSCMMJDT-UHFFFAOYSA-N- Molecular formula
- C7H9N3O
- Average molar mass
- 151.17 g/mol
- Monoisotopic mass
- 151.07456191
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-5-pyrimidinecarbaldehyde
- IUPAC
- 2-(dimethylamino)pyrimidine-5-carbaldehyde
- English name
- 2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE
- Molecular formula
- C7H9N3O
- Molecular weight
- 151.17
Names & synonyms
2-(DIMETHYLAMINO)-5-PYRIMIDINECARBALDEHYDERefChem:460790800-577-62-(dimethylamino)pyrimidine-5-carbaldehyde55551-49-02-Dimethylamino-pyrimidine-5-carbaldehydeMFCD03446733DTXSID50355279AKOS0002838652-dimethylamino-pyrimidine-5-carboxaldehydeD82215Z274575566
Show more names
2-(N,N-DiMethylaMino)pyriMidine-5-carboxaldehydeASISCHEM C63425TIMTEC-BB SBB010324CHEMBRDG-BB 40102705-Pyrimidinecarboxaldehyde, 2-(dimethylamino)-2-(dimethylamino)pyrimidine-5-carbaldehyde(SALTDATA: FREE)2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE ISO 9001：2015 REACH
AMY19926BCP219572-(Dimethylamino)pyrFT-0677114SCHEMBL1134018FCA55149AB15449AS-65273
Database identifiers
- CAS
55551-49-0- PubChem CID
- 795544
- DTXSID
DTXSID50355279- EC Number
- 800-577-6
- Nikkaji
- J433.186I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 122 · 122-124 °C
- Boiling point
- 289.6 · 289.6±32.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 2.27 · 2.27±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3
- InChIKey
- XBYXYDVSCMMJDT-UHFFFAOYSA-N
- SMILES
- C1(N(C)C)=NC=C(C=O)C=N1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-43
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 3 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. 4 (33.3%)
Safety data
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers53 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
湖州澄博生物科技有限公司13626726938
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
苏州阿德莱德化工科技有限公司15995785122 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
南京阿斯法姆医药科技有限公司02558867862; 18751812725 · [email protected]
石家庄东智化工有限公司18032763683 13102890206; 18032763683;13102890206 · [email protected]
石家庄渡世生物医药科技有限公司13102890206 18032066297
Aladdin Scientific[email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
杭州米龙生物科技有限公司18083715844 · [email protected]
Related reactions
4 records
Compound notes
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