(R)-(+)-1-Benzyl-3-pyrrolidinol

HCID 643472
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Basic information

CAS
101930-07-8
Standard SMILES
O[C@@H]1CCN(Cc2ccccc2)C1
InChIKey
YQMXOIAIYXXXEE-LLVKDONJSA-N
Molecular formula
C11H15NO
Average molar mass
177.24 g/mol
Monoisotopic mass
177.1153641

Names & identifiers

Preferred name
(R)-(+)-1-Benzyl-3-pyrrolidinol
IUPAC
(3R)-1-benzylpyrrolidin-3-ol
English name
(R)-(+)-1-Benzyl-3-pyrrolidinol
Molecular formula
C11H15NO
Molecular weight
177.24

Names & synonyms

101930-07-8(R)-(+)-1-Benzyl-3-pyrrolidinolDTXSID70349190RefChem:406959DTXCID30300262626-123-5(r)-3-hydroxy-1-benzylpyrrolidine(3R)-1-benzylpyrrolidin-3-ol(R)-1-Benzyl-3-pyrrolidinol(R)-1-Benzylpyrrolidin-3-ol(R)-1-Benzyl-pyrrolidin-3-ol3-PYRROLIDINOL, 1-(PHENYLMETHYL)-, (3R)-
Show more names
R-BHPCAS:101930-07-8(R)-1-Benzyl pyrrolidine(R)-N-BENZYL-3-PYRROLIDINOLN-BENZYL-(R)-3-PYRROLIDINOL(3R)-1-Benzyl-3-pyrrolidinol(R)-1-N-Benzyl-3-pyrrolidine
MFCD00075484(r)-1-n-benzyl-3-hydroxypyrrolidine(R)-1-Benzyl-3-hydroxypyrrolidine(R)-1-benzyl-3pyrrolidinol(r)-n-benzyl-3-hydroxypyrrolidine1-Benzyl-3-pyrrolidinol #SY004143(3R)-1-BENZYL-3-HYDROXYPYRROLIDINE

Database identifiers

CAS
101930-07-8
PubChem CID
643472
DTXSID
DTXSID70349190
ChEMBL
CHEMBL3962179
EC Number
626-123-5
Nikkaji
J382.946D

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

alpha
3.7 · 3.7 º (c=5, MeOH)
Boiling point
116 °C0.9 · 116 °C0.9 mm Hg(lit.)
Density
1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.548(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29339900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses(R)-(+)-1-Benzyl-3-pyrrolidinol, is a chiral building block used for the synthesis of various pharmaceutical and biologically active compounds. It can be used for the preparation of beta-proline like derivatives, acting as sodium channel blockers

Upstream & downstream products

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

30 records
New reaction record

Compound notes

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