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Basic information
- CAS
383127-27-3- Standard SMILES
Cc1ccccc1CC1CCCN1- InChIKey
AEVCYCAGTSOXAE-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- 2-((2-Methylphenyl)methyl)pyrrolidine
- IUPAC
- 2-[(2-methylphenyl)methyl]pyrrolidine
- English name
- 2-[(2-methylphenyl)methyl]pyrrolidine
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
2-[(2-methylphenyl)methyl]pyrrolidine383127-27-32-((2-Methylphenyl)methyl)pyrrolidineRefChem:447843961-510-52-(2-methylbenzyl)pyrrolidineMFCD026634392-(2-Methyl-benzyl)-pyrrolidineSCHEMBL1485223SCHEMBL3909946AEVCYCAGTSOXAE-UHFFFAOYSA-NIQA12727
Show more names
Pyrrolidine, 2-[(2-methylphenyl)methyl]-
AKOS000156958AKOS016343576SY185766DB-391429CS-0261134EN300-77224G34833Z285198452
Database identifiers
- CAS
383127-27-3- PubChem CID
- 3901706
- EC Number
- 961-510-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 270.2 · 270.2±9.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- pka
- 10.67 · 10.67±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
韶远科技（上海）有限公司4000665055 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
6 records
Compound notes
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