1-Benzylpyrrolidine-3-carbaldehyde

HCID 4589478
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Basic information

CAS
72351-49-6
Standard SMILES
O=CC1CCN(Cc2ccccc2)C1
InChIKey
PAMPHILDHRTJLG-UHFFFAOYSA-N
Molecular formula
C12H15NO
Average molar mass
189.25 g/mol
Monoisotopic mass
189.1153641

Names & identifiers

Preferred name
1-Benzylpyrrolidine-3-carbaldehyde
IUPAC
1-benzylpyrrolidine-3-carbaldehyde
English name
1-Benzylpyrrolidine-3-carbaldehyde
Molecular formula
C12H15NO
Molecular weight
189.25

Names & synonyms

1-benzylpyrrolidine-3-carbaldehyde72351-49-61-Benzyl-pyrrolidine-3-carbaldehydeMFCD040385451-benzyl-3-formylpyrrolidineSCHEMBL2538235DTXSID10404616PAMPHILDHRTJLG-UHFFFAOYSA-N1-Phenylmethyl-3-formylpyrrolidineAKOS006229123DS-9686DA-03277
Show more names
1-BENZYL-3-FORMYL-PYRROLIDINE1-BENZYLPYRROLIDINE-3-ALDEHYDE1-Boc-pyrrolidine-3-carbaldehydeN-Benzylpyrrolidine-3-carboxaldehyde1-Benzyl-3-pyrrolidinecarboxaldehyde3-Pyrrolidinecarboxaldehyde, 1-(phenylmethyl)-
CS-0342985B52031

Database identifiers

CAS
72351-49-6
PubChem CID
4589478
DTXSID
DTXSID10404616

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Boiling point
281 ℃ · 281℃
Density
1.149 · 1.149
Flash point
98 ℃ · 98℃
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
pka
8.56 · 8.56±0.40(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Suppliers9 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
杭州东帆化学有限公司86-0571-85151182
江阴安博生物医药有限公司086-010-62176588 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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