Benzenemethanamine,4-(4-morpholinylmethyl)- supplier

Name
4-(MORPHOLINOMETHYL)BENZYLAMINE
EINECS
CAS No. 91271-84-0
Article Data7
CAS DataBase
Density 1.103 g/cm³
Solubility
Melting Point 54-56°C
Formula C₁₂H₁₈N₂O
Boiling Point 324.7 °C at 760 mmHg
Molecular Weight 206.288
Flash Point 150.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols C
Synonyms 4-(4-Aminomethylbenzyl)morpholine;4-(Morpholin-4-ylmethyl)benzylamine;4-(Morpholinomethyl)benzylamine;[4-(Morpholinomethyl)phenyl]methanamine;
PSA 38.49000
LogP 1.61570

Benzenemethanamine,4-(4-morpholinylmethyl)- Specification

The Benzenemethanamine,4-(4-morpholinylmethyl)-, with CAS registry number 91271-84-0, has the systematic name of 1-[4-(morpholin-4-ylmethyl)phenyl]methanamine. Besides this, it is also called 4-(morpholinomethyl)benzylamine. And the chemical formula of this chemical is C₁₂H₁₈N₂O.

Physical properties of Benzenemethanamine,4-(4-morpholinylmethyl)-: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.91; (4)ACD/LogD (pH 7.4): -2.07; (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: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 61.23 cm³; (15)Molar Volume: 186.8 cm³; (16)Polarizability: 24.27×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Enthalpy of Vaporization: 56.68 kJ/mol; (19)Vapour Pressure: 0.000241 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenemethanamine,4-(4-morpholinylmethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O2CCN(Cc1ccc(cc1)CN)CC2
(2)InChI: InChI=1/C12H18N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-10,13H2
(3)InChIKey: OTMQHFNPBREFIL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H18N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-10,13H2
(5)Std. InChIKey: OTMQHFNPBREFIL-UHFFFAOYSA-N

Product Name

4-(MORPHOLINOMETHYL)BENZYLAMINE

Benzenemethanamine,4-(4-morpholinylmethyl)- Specification

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