Benzyl (3-aminopropyl)carbamate

HCID 417669

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Basic information

CAS: 46460-73-5
Standard SMILES: NCCCNC(=O)OCc1ccccc1
InChIKey: JXWABCYGGVHAHB-UHFFFAOYSA-N
Molecular formula: C11H16N2O2
Average molar mass: 208.26 g/mol
Monoisotopic mass: 208.12117775

Names & identifiers

Preferred name: Benzyl (3-aminopropyl)carbamate
IUPAC: benzyl N-(3-aminopropyl)carbamate
English name: N-CARBOBENZOXY-1,3-DIAMINOPROPANE HYDROCHLORIDE
Molecular formula: C11H16N2O2
Molecular weight: 208.26

Names & synonyms

Benzyl (3-aminopropyl)carbamate46460-73-5carbamic acid, N-(3-aminopropyl)-, phenylmethyl esterDTXSID70329134RefChem:328365DTXCID70280236JXWABCYGGVHAHB-UHFFFAOYSA-Nbenzyl N-(3-aminopropyl)carbamaten-cbz-1,3-diaminopropanebenzyl 3-aminopropylcarbamateMFCD02094511Carbamic acid, (3-aminopropyl)-, phenylmethyl ester

Show more names

N-CBZ-1,3-DIAMINOPROPANE HYDROCHLORIDEZ-DAP HCLZ-NH(CH2)3NH2 HCLTIMTEC-BB SBB003190Z-DIAMINOPROPANE HCLZ-1,3-DIAMINOPROPANE HCLN-1-Z-1,3-DIAMINOPROPANE HCLN-Z-1,3-DIAMINOPROPANE HYDROCHLORIDE

N-(benzyloxycarbonyl)-1,3-propanediamineSCHEMBL615296Benzyl(3-aminopropyl)carbamateorb3175415SCHEMBL85046223-(Benzyloxycarbonylamino)propylamineAB8106AKOS016009172

Database identifiers

CAS: 46460-73-5
PubChem CID: 417669
DTXSID: DTXSID70329134
Nikkaji: J599.094G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 185 · 185-189 °C
Boiling point: 368 ℃ · 368℃
Density: 1.109 · 1.109
Flash point: 177 ℃ · 177℃
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 12.52 · 12.52±0.46(Predicted)
Appearance: Colorless to light yellow Viscous Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 3 · 3

Safety & regulation

Safety data

F: 3
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H302-H315-H319
Precautionary statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330