CAS 887425-47-0 1-(5-Bromopyrimidin-2-yl)piperidin-4-ol (HCID 4641125)

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Basic information

CAS: 887425-47-0
Standard SMILES: OC1CCN(c2ncc(Br)cn2)CC1
InChIKey: KHDDJQBUJMYKAY-UHFFFAOYSA-N
Molecular formula: C9H12BrN3O
Average molar mass: 258.12 g/mol
Monoisotopic mass: 257.0163741

Names & identifiers

Preferred name: 1-(5-Bromopyrimidin-2-yl)piperidin-4-ol
IUPAC: 1-(5-bromopyrimidin-2-yl)piperidin-4-ol
English name: 1-(5-BROMOPYRIMIDIN-2-YL)-4-PIPERIDINOL
Molecular formula: C9H12BrN3O
Molecular weight: 258.12

Names & synonyms

1-(5-bromopyrimidin-2-yl)piperidin-4-olRefChem:426320997-483-1887425-47-01-(5-Bromopyrimidin-2-yl)-4-piperidinolMFCD03646019SCHEMBL356301DTXSID70405124KHDDJQBUJMYKAY-UHFFFAOYSA-NSBB101966AKOS013186137CS-W021242

Show more names

1-(5-bromo-2-pyrimidinyl)-4-piperidinol4-Piperidinol, 1-(5-bromo-2-pyrimidinyl)-5-Bromo-2-(4-hydroxypiperidino)pyrimidine

MB02906DS-10376DB-001466EN300-3269174F078819SR-01000384000SR-01000384000-1Z1162912596

Database identifiers

CAS: 887425-47-0
PubChem CID: 4641125
DTXSID: DTXSID70405124
EC Number: 997-483-1

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 177

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.