1-Methyl-1H-pyrrole-2-methanol

HCID 148557
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Basic information

CAS
52160-51-7
Standard SMILES
Cn1cccc1CO
InChIKey
BHGUSWOZYFZTMG-UHFFFAOYSA-N
Molecular formula
C6H9NO
Average molar mass
111.14 g/mol
Monoisotopic mass
111.06841391

Names & identifiers

Preferred name
1-Methyl-1H-pyrrole-2-methanol
IUPAC
(1-methylpyrrol-2-yl)methanol
English name
(1-METHYL-1H-PYRROL-2-YL)METHANOL,97%
Molecular formula
C6H9NO
Molecular weight
111.14

Names & synonyms

52160-51-72-Pyrrolemethanol, 1-methyl-DTXSID602001801-Methyl-1H-pyrrole-2-methanolRefChem:1055741DTXCID60122671(1-Methyl-1H-pyrrol-2-yl)methanol(1-methylpyrrol-2-yl)methanol2-Hydroxymethyl-1-methylpyrroleMFCD01688413sodium (1-methyl-1H-pyrrol-2-yl)methanolateBRN 0110518
Show more names
1-methyl-2-pyrrolemethano1-methyl-1h-pyrrole-2-methano2-Hydroxymethyl-1-methylpyrrolidine(1-methyl-1H-pyrrole-2-yl)-methanol(1-methyl-1H-pyrrol-2-yl)methanolate(1-METHYL-1H-PYRROL-2-YL)METHANOL,97%
1H-Pyrrole-2-methanol, 1-methyl-5-21-01-00376 (Beilstein Handbook Reference)SCHEMBL447797SCHEMBL447799(1-Methyl-2-pyrrolyl)methanolN-methyl-2-hydroxymethylpyrroleSCHEMBL1768431BHGUSWOZYFZTMG-UHFFFAOYSA-N

Database identifiers

CAS
52160-51-7
PubChem CID
148557
DTXSID
DTXSID60200180
Nikkaji
J125.973C

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
25.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
8

Physicochemical properties

Melting point
28 · 28-30 °C(Solv: ligroine (8032-32-4); benzene (71-43-2))
Boiling point
98 · 98-100 °C(Press: 11 Torr)
Density
1.07 g/cm3 · 1.070 g/cm3
storage temp.
2 · 2-8°C
pka
14.91 · 14.91±0.10(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Hazard statements
H302-H317
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers15 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海智存生物科技有限公司 (上海图芃生物科技有限公司）13761914825

Related reactions

3 records
New reaction record

Compound notes

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