Name: (3-HYDROXYMETHYL-PYRROLIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
SKU: 475469-15-9

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Basic Information

Molecular Structure:
CAS No.:	475469-15-9
Name:	(3-HYDROXYMETHYL-PYRROLIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Article Data:	1

Formula:	C₁₀H₂₀N₂O₃
Molecular Weight:	216.28
Synonyms:	Carbamicacid, [3-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI);N-(3-Hydroxymethylpyrrolidin-3-yl)carbamic acid tert-butyl ester;
Density:	1.123 g/cm³
Boiling Point:	346.857 °C at 760 mmHg
Flash Point:	163.574 °C
PSA:	70.59000
LogP:	0.95520

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Specification

The cas register number of (3-Hydroxymethylpyrrolidin-3-yl)carbamic acid tert-butyl ester is 475469-15-9. It also can be called as Carbamic acid,N-[3-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester and the IUPAC Name about this chemical is tert-butyl N-[3-(hydroxymethyl)pyrrolidin-3-yl]carbamate. It belongs to the N-BOC.

Physical properties about (3-Hydroxymethylpyrrolidin-3-yl)carbamic acid tert-butyl ester are: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 70.59Å²; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 57.012 cm³; (14)Molar Volume: 192.52 cm³; (15)Polarizability: 22.601x10^-24cm³; (16)Surface Tension: 42.853 dyne/cm; (17)Enthalpy of Vaporization: 68.452 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1(CCNC1)CO
(2)InChI: InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-10(7-13)4-5-11-6-10/h11,13H,4-7H2,1-3H3,(H,12,14)
(3)InChIKey: AXNAHFQBVPFTPL-UHFFFAOYSA-N