6-Bromomethyl-2,4-pteridinediamine

HCID 429342CAS 59368-16-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(N)c2nc(CBr)cnc2n1
InChIKey
MJRBZALCJHZGKR-UHFFFAOYSA-N
Molecular formula
C7H7BrN6
Average molar mass
255.08 g/mol
Monoisotopic mass
253.99156

Names & identifiers

Preferred name
6-Bromomethyl-2,4-pteridinediamine
IUPAC
6-(bromomethyl)pteridine-2,4-diamine
English name
6-(Bromomethyl)-2,4-pteridinediamine
Molecular formula
C7H7BrN6
Molecular weight
255.07

Names & synonyms

59368-16-06-Bromomethyl-2,4-pteridinediamine2,4-Pteridinediamine, 6-(bromomethyl)-DTXSID60208106RefChem:104334DTXCID401305976-(bromomethyl)pteridine-2,4-diamine6-(bromomethyl)-2,4-pteridinediamine6-BROMOMETHYL-PTERIDINE-2,4-DIAMINEC7H7BrN66-Bromomethyl-2,4-diaminopteridine2,4-diamino-6-(bromomethyl)pteridine
Show more names
2,4-Diamino-6-bromomethylpteridine
2,4-pteridinediamine,6-(bromomethyl)-Methotrexate Impurity 139J2XFG3QBQSCHEMBL64146SCHEMBL30435493SCHEMBL31143797MJRBZALCJHZGKR-UHFFFAOYSA-N6-Brom-methyl-2,4-diaminopteridin

Database identifiers

CAS
59368-16-0
PubChem CID
429342
DTXSID
DTXSID60208106
UNII
9J2XFG3QBQ
Nikkaji
J491.678F

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
168 · 168-170 °C
Boiling point
520.7 · 520.7±60.0 °C(Predicted)
Density
1.954 · 1.954
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
5.51 · 5.51±0.10(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H312-H332
Precautionary statements
P280

Chemistry & industry

Upstream & downstream products

Suppliers41 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
武汉吉业升化工有限公司15387013945 · [email protected]

Related reactions

23 records
New reaction record

Linked notes

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