3-Pyrrolidin-1-ylpropionic acid supplier

Name
3-PYRROLIDIN-1-YL-PROPIONIC ACID HCL
EINECS
CAS No. 76234-38-3
Article Data5
CAS DataBase
Density 1.114 g/cm³
Solubility
Melting Point 162-172°C
Formula C₇H₁₃NO₂
Boiling Point 263.7 °C at 760 mmHg
Molecular Weight 143.186
Flash Point 113.3 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 3-(1-Pyrrolidinyl)propionicacid;3-(Pyrrole-1-yl)propionic acid;3-(Pyrrolidin-1-yl)propanoic acid;b-(1-Pyrrolidinyl)propionic acid;
PSA 40.54000
LogP 0.49480

3-Pyrrolidin-1-ylpropionic acid Specification

This chemical is called 3-Pyrrolidin-1-ylpropionic acid, and it's also named as 1-Pyrrolidinepropanoic acid. With the molecular formula of C₇H₁₃NO₂, its molecular weight is 143.18. The CAS registry number of this chemical is 76234-38-3.

Other characteristics of the 3-Pyrrolidin-1-ylpropionic acid can be summarised as followings: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.94; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 37.53 cm³; (15)Molar Volume: 128.4 cm³; (16)Polarizability: 14.88×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Enthalpy of Vaporization: 55.21 kJ/mol; (19)Vapour Pressure: 0.00297 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCN1CCCC1
(2) InChI: InChI=1/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)
(3) InChIKey: BRSKDXVJFXXUKX-UHFFFAOYAJ
(4) Std. InChI: InChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)
(5) Std. InChIKey: BRSKDXVJFXXUKX-UHFFFAOYSA-N

Product Name

3-PYRROLIDIN-1-YL-PROPIONIC ACID HCL

3-Pyrrolidin-1-ylpropionic acid Specification

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