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(3-Methylpyrrolidin-2-yl)methanol

HCID 19822527
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
1248551-34-9
Standard SMILES
CC1CCNC1CO
InChIKey
STWLHKFAJXALLT-UHFFFAOYSA-N
Molecular formula
C6H13NO
Average molar mass
115.17 g/mol

Names & identifiers

Preferred name
(3-Methylpyrrolidin-2-yl)methanol
IUPAC
(3-methylpyrrolidin-2-yl)methanol

Names & synonyms

(3-methylpyrrolidin-2-yl)methanol1248551-34-9RefChem:400459836-224-82381816-25-52554776-14-42554776-16-6[(2R,3R)-3-methylpyrrolidin-2-yl]methanol[(2R,3S)-3-methylpyrrolidin-2-yl]methanol[(2S,3R)-3-methylpyrrolidin-2-yl]methanol3-Methyl-2-pyrrolidinemethanolSCHEMBL9786442
Show more names
[cis-3-methylpyrrolidin-2-yl]methanolAKOS006379292[trans-3-methylpyrrolidin-2-yl]methanol138149-78-7DB-379338CS-0236300EN300-170189Z1203831515

Database identifiers

CAS
1248551-34-9
PubChem CID
19822527
EC Number
836-224-8

Properties

Computed structural propertiesFilling in

XLogP
0.1
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
74.9

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

2 records
New reaction record
HRID 160592 reaction equation
HRID 160592As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1571265 reaction equation
HRID 1571265As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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