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[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate

[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate structure

CAS No:
152100-45-3
Formula:
C14H16N2O4
Chemical Name:
[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
Synonyms:
[(S)-(-)-1-(4-Nitrophenyl)-2-pyrrolidinemethyl]acrylate; NPP acrylate;

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[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate Basic Attributes

Molecular Weight：

276.28800

Exact Mass：

276.11100700

DSSTox ID：

DTXSID50584269

Characteristics

PSA：

75.36000

XLogP3：

2.88100

Density：

1.228g/cm3

Melting Point：

38-48ºC(lit.)

Boiling Point：

435.6ºC at 760 mmHg

Flash Point：

>230 °F

Refractive Index：

1.563

Vapor Pressure：

8.65E-08mmHg at 25°C

Safety Information

Transport codes：

UN 3077 9/PG 3

hazard class code：

R36/37/38

safety instructions：

S26

Marks：

Xi; N

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:276.29
XLogP3:2.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:276.11100700
Monoisotopic Mass:276.11100700
Topological Polar Surface Area:75.4
Heavy Atom Count:20
Complexity:372
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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