2-Benzylpyrrolidine

HCID 339556
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Basic information

CAS
35840-91-6
Standard SMILES
c1ccc(CC2CCCN2)cc1
InChIKey
NKHMSOXIXROFRU-UHFFFAOYSA-N
Molecular formula
C11H15N
Average molar mass
161.24 g/mol
Monoisotopic mass
161.12044948

Names & identifiers

Preferred name
2-Benzylpyrrolidine
IUPAC
2-benzylpyrrolidine
English name
2-Benzylpyrrolidine
Molecular formula
C11H15N
Molecular weight
161.24

Names & synonyms

2-Benzylpyrrolidine35840-91-6RefChem:465723690-463-0PYRROLIDINE, 2-(PHENYLMETHYL)-MFCD016318392-benzyl-pyrrolidinerac-2-benzylpyrrolidinepyrrolidine, 2-benzyl-rac.-2-benzylpyrrolidineSCHEMBL52608(2RS)-2-benzyl-pyrrolidine
Show more names
(S)-2-Benzylpyrrolidine2-Benzylpyrrolidine 98%2-(Phenylmethyl)pyrrolidinealpha-(Pyrrolidin-2-yl)toluene[(Pyrrolidin-2-yl)methyl]benzene
SCHEMBL167190SCHEMBL1036252SCHEMBL6405531SCHEMBL6572638SCHEMBL27335607DTXSID30902624NKHMSOXIXROFRU-UHFFFAOYSA-NAR1052

Database identifiers

CAS
35840-91-6
PubChem CID
339556
DTXSID
DTXSID30902624
EC Number
690-463-0
Nikkaji
J1.724.454J

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
96 · 96-97 °C(Press: 2 Torr)
Density
0.988 · 0.988±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
1 · pK1: 10.31(+1) (25°C)
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)

Safety data

hs_code
2933998090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
hazard_note
Irritant

Chemistry & industry

Suppliers41 total

宁波振岳医药科技有限公司19817745290 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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