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352351-59-8 molecular structure
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9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate hydrobromide

ChemBase ID: 152797
Molecular Formular: C18H21BrN2O2
Molecular Mass: 377.27554
Monoisotopic Mass: 376.07863992
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1ccccc1C2COC(=O)NCCCN.Br
Canonical SMILES:
NCCCNC(=O)OCC1c2ccccc2c2c1cccc2.Br
InChI:
InChI=1S/C18H20N2O2.BrH/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;/h1-4,6-9,17H,5,10-12,19H2,(H,20,21);1H
InChIKey:
OWAKRMILENXFGM-UHFFFAOYSA-N

Cite this record

CBID:152797 http://www.chembase.cn/molecule-152797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate hydrobromide
IUPAC Traditional name
9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate hydrobromide
Synonyms
9-Fluorenylmethyl N-(3-aminopropyl)carbamate hydrobromide
N-Fmoc-1,3-diaminopropane hydrobromide
N-Fmoc-1,3-propanediamine hydrobromide
9-芴甲基 N-(3-氨丙基)氨基甲酸酯 氢溴酸盐
N-芴甲氧羰基-1,3-丙二胺 氢溴酸盐
N-芴甲氧羰基-1,3-二氨基丙烷 氢溴酸盐
CAS Number
352351-59-8
MDL Number
MFCD01863044
PubChem SID
162246940
24871146
PubChem CID
16213183

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
47556 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213183 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.91105  H Acceptors
H Donor LogD (pH = 5.5) -0.74698746 
LogD (pH = 7.4) -0.02286735  Log P 2.2615454 
Molar Refractivity 86.8138 cm3 Polarizability 35.052353 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~121 °C (dec.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥96.0% (AT) expand Show data source
Empirical Formula (Hill Notation)
C18H20N2O2 · HBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 47556 external link
Packaging
1 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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