| CAS Number | 76706-60-0 |
| Catalog Number | AG00GGI2(AGN-PC-03TXXC) |
| Chemical Name | 3,4-Dichlorobenzenepropanamine |
| IUPAC Name | 3-(3,4-dichlorophenyl)propan-1-amine |
| InChI | InChI=1S/C9H11Cl2N/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-4,6H,1-2,5,12H2 |
| InChI Key | QDWHHNQJNXGPRJ-UHFFFAOYSA-N |
| MDL Number | MFCD09912884 |
| Molecular Formula | C9H11Cl2N |
| Molecular Weight | 204.0963 |
| SMILES | ClC=1C=C(C=CC1Cl)CCCN |
| Synonyms | 3-(3,4-dichlorophenyl)propan-1-amine,
76706-60-0,
AC1Q54E2,
SCHEMBL4037320,
3,4-Dichloro-benzenepropanaMine,
CTK7E7808,
QDWHHNQJNXGPRJ-UHFFFAOYSA-N,
ZINC35321564,
AKOS009480927,
MCULE-6249771676,
NE59592,
FT-0728393,
EN300-54714,
Z823291784,
3,4-dichloroBenzenepropanamine,
(3,4-Dichlorobenzyl)ethylamine,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.094g/mol |
| Monoisotopic Mass | 203.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number