Basic information
- CAS
57963-59-4- Standard SMILES
Nc1nc(N)c2nc(CO)cnc2n1- InChIKey
CYNARAWTVHQHDI-UHFFFAOYSA-N- Molecular formula
- C7H8N6O
- Average molar mass
- 192.18 g/mol
- Monoisotopic mass
- 192.07595888
Names & identifiers
- Preferred name
- 2,4-Diamino-6-hydroxymethylpteridine
- IUPAC
- (2,4-diaminopteridin-6-yl)methanol
- English name
- 2,4-Diamino-6-(hydroxymethyl)-pteridine hydrobromide
- Molecular formula
- C7H9BrN6O
- Molecular weight
- 273.09
Names & synonyms
945-24-4(2,4-diaminopteridin-6-yl)methanol2,4-diamino-6-hydroxymethylpteridine6-Pteridinemethanol, 2,4-diamino-2,4-Diaminopteridine-6-ylmethanol1RU16O4RO0EINECS 213-412-2METHOTREXATE IMPURITY A [EP IMPURITY]METHOTREXATE IMPURITY A (EP IMPURITY)RefChem:4431722,4-Diamino-6-(hydroxymethyl)pteridineMethotrexate EP Impurity A
Show more names
Nsc253944AKOS 231-152,4-Diamino-6-pteridinemethanol hydrobromide6-HYDROXYMETHYL-2,4-DIAMINOPTERIDINE HYDROBROMIDE(2,4-diaminopteridin-6-yl)methanol (hydrobromide)2,4-Diamino-6-(hydroxymethy)-pteridine hydrobromide2,4-Diamino-6-(hydroxymethyl)-pteridine hydrobromide2,4-Diamino-6-(hydroxymethy)-pteridine hydrobromide, min.
2,4-Pteridinediamine-6-methanolMFCD00006711DC3296-Hydroxymethyl-2,4-pteridinediamineSD-0969502,4-Diamino-6-pteridinemethanol6-Pteridinemethanol, 2,4-diamino-, monohydrobromide(2,4-Diamino-6-pteridinyl)methanol
Database identifiers
- CAS
57963-59-4、73978-41-3、945-24-4- PubChem CID
- 70347
- DTXSID
DTXSID10915479- ChEMBL
CHEMBL78951- UNII
- 1RU16O4RO0
- EC Number
- 213-412-2
- Nikkaji
- J298.548I
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
LogP-0.45
Physicochemical properties
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- color
- Dark Red Brown
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Chemistry & industry
Applications
Uses2,4-Pteridinediamine-6-methanol Hydrobromide (cas# 57963-59-4) is a compound useful in organic synthesis.
Suppliers13 total
上海仲因实业有限公司2537653158 16621191650 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
AbaChemScene732-484-9848 · [email protected]
武汉伯业科技发展有限公司027-81625225 15377010747 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [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]
Related reactions
9 records
Compound notes
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