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103-83-3 molecular structure
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benzyldimethylamine

ChemBase ID: 104938
Molecular Formular: C9H13N
Molecular Mass: 135.20622
Monoisotopic Mass: 135.10479942
SMILES and InChIs

SMILES:
CN(C)Cc1ccccc1
Canonical SMILES:
CN(Cc1ccccc1)C
InChI:
InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey:
XXBDWLFCJWSEKW-UHFFFAOYSA-N

Cite this record

CBID:104938 http://www.chembase.cn/molecule-104938.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyldimethylamine
IUPAC Traditional name
dimethylbenzylamine
Synonyms
N,N-Dimethylbenzenemethanamine
N-Benzyldimethylamine
Dimethylbenzylamine
Benzyl-N,N-dimethylamine
N-(Phenylmethyl)dimethylamine
BDMe
Sumine 2015, Benzenemethanamine
Dabco B-16, Araldite accelerator 062, N,N-Dimethyl(phenyl)methanamine
Dimethylbenzylamine
N,N-Dimethyl-1-phenylmethanamine
Benzyldimethylamine
N,N-DIMETHYLBENZYLAMINE
N-BENZYLDIMETHYLAMINE
BDMA
DMBA
N,N-Dimethylbenzylamine
N-Benzyldimethylamine
N,N-Dimethylbenzylamine
N-Benzyldimethylamine
N-苄基二甲胺
N,N-二甲基苄胺
N-苄基二甲胺
CAS Number
103-83-3
EC Number
203-149-1
MDL Number
MFCD00008329
Beilstein Number
1099620
PubChem SID
162093101
24848115
24851151
PubChem CID
7681
CHEMBL
45591
Chemspider ID
7398
Wikipedia Title
Dimethylbenzylamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2792611  LogD (pH = 7.4) 0.3205597 
Log P 1.9146426  Molar Refractivity 44.6007 cm3
Polarizability 17.444096 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1.2 g/L (27 °C) in water expand Show data source
Apperance
colourless to yellow liquid expand Show data source
Melting Point
-75 °C expand Show data source
-75 °C(lit.) expand Show data source
-75°C expand Show data source
-75°C expand Show data source
Boiling Point
180 - 183 °C expand Show data source
183-184 °C/765 mmHg(lit.) expand Show data source
183-184°C expand Show data source
183-184°C expand Show data source
Flash Point
127 °F expand Show data source
127.4 °F expand Show data source
53 °C expand Show data source
54.4°C expand Show data source
54°C(129°F) expand Show data source
55 °C expand Show data source
Auto Ignition Point
410 °C expand Show data source
Density
0.9 g/mL at 25 °C(lit.) expand Show data source
0.90 g/ml expand Show data source
0.900 expand Show data source
0.91 g/cm3 at 20 °C expand Show data source
Refractive Index
1.5010 expand Show data source
n20/D 1.50 expand Show data source
n20/D 1.501(lit.) expand Show data source
n20/D 1.502 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
DP4500000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
2619 expand Show data source
UN2619 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Australian Hazchem
3W expand Show data source
Risk Statements
10-20/21/22-34-52/53 expand Show data source
R:10-20/21/22-34-52/53 expand Show data source
R10, R20, R21, R22, R34, R52, R53 expand Show data source
Safety Statements
1/2-26-36-45-61 expand Show data source
26-36-45-61 expand Show data source
S:26-36-45-61 expand Show data source
S26, S36, S45, S61 expand Show data source
EU Classification
CF1 expand Show data source
EU Hazard Identification Number
8A expand Show data source
Emergency Response Guidebook(ERG) Number
132 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
3
3
0
expand Show data source
GHS Hazard statements
H226-H302-H312-H314-H332-H412 expand Show data source
H314-H226-H302-H312-H332-H412 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P273-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2619 8/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥99% expand Show data source
≥99.5% (GC) expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
for protein sequence analysis expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
C6H5CH2N(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157804 external link
1 ml = approx. 0.90 g
MP Biomedicals - 05215276 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 185582 external link
Packaging
100, 500 mL in glass bottle
Sigma Aldrich - 136921 external link
Packaging
1 L in glass bottle
500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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