Carbamic acid,N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1) supplier

Name
N-CARBOBENZOXY-1,3-DIAMINOPROPANE HYDROCHLORIDE
EINECS
CAS No. 17400-34-9
Article Data4
CAS DataBase
Density 1.109g/cm³
Solubility Soluble in water
Melting Point 185-189 °C
Formula C₁₁H₁₇ClN₂O₂
Boiling Point 396.6 °C at 760 mmHg
Molecular Weight 244.721
Flash Point 193.7 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (3-aminopropyl)-, benzyl ester, monohydrochloride (8CI);Carbamic acid,(3-aminopropyl)-, phenylmethyl ester, monohydrochloride (9CI);(3-Aminopropyl)carbamic acid benzyl ester hydrochloride;Carbobenzoxy-3-aminopropylamine monohydrochloride;N-(Benzyloxycarbonyl)propane-1,3-diamine hydrochloride;N-Carbobenzyloxy-1,3-diaminopropanehydrochloride;
PSA 64.35000
LogP 3.15480

Carbamic acid,N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1) Specification

The Carbamic acid,N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1), with CAS registry number 17400-34-9, belongs to the following product categories: (1)Monoprotected Diaminoalkanes; (2)N-Cbz-diaminoalkanes. It has the systematic name of benzyl (3-aminopropyl)carbamate hydrochloride (1:1). And the chemical formula of this chemical is C₁₁H₁₇ClN₂O₂.

Physical properties of Carbamic acid,N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1): (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 64.35 Å²; (11)Flash Point: 193.7 °C; (12)Enthalpy of Vaporization: 65.96 kJ/mol; (13)Boiling Point: 396.6 °C at 760 mmHg; (14)Vapour Pressure: 1.11E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by Benzyl 2-cyanoethylcarbamate. This reaction will need reagents NaBH4, NiCl₂^.6H₂O and solvent methanol. The reaction time is 30 min. The yield is about 71%.

Carbamic acid,N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1) can be prepared by Benzyl 2-cyanoethylcarbamate.

When you are using this chemical, please be cautious about it as the following:
The Carbamic acid,N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1) 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: Cl.NCCCNC(=O)OCc1ccccc1
(2)InChI: InChI=1/C11H16N2O2.ClH/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,12H2,(H,13,14);1H
(3)InChIKey: XKMBTMXQMDLSRB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H16N2O2.ClH/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,12H2,(H,13,14);1H
(5)Std. InChIKey: XKMBTMXQMDLSRB-UHFFFAOYSA-N

Product Name

N-CARBOBENZOXY-1,3-DIAMINOPROPANE HYDROCHLORIDE

Carbamic acid,N-(3-aminopropyl)-, phenylmethyl ester, hydrochloride (1:1) Specification

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