1,2-Benzenedimethanamine
Basic information
- CAS
17300-02-6- Standard SMILES
NCc1ccccc1CN- InChIKey
GKXVJHDEWHKBFH-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- 1,2-Benzenedimethanamine
- IUPAC
- [2-(aminomethyl)phenyl]methanamine
- English name
- AKOS AUF2082
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
17300-02-61,2-BenzenedimethanamineRefChem:411246605-656-71,2-Phenylenedimethanamine2-Aminomethyl-benzylamine[2-(aminomethyl)phenyl]methanamineBenzenedimethanaminexylylenediamineMFCD062125561-[2-(AMINOMETHYL)PHENYL]METHANAMINE2-aminomethylbenzylamine
Show more names
AKOS AUF2082RARECHEM AL BW 0007o-Xylylenediamine 95%UKRORGSYN-BB BBV-1823391,2-benzenedimethylamineo-Xylylenediamine1,2-Phenylenedimethanamine - [P94268]
o-Xylylenediamine, 95%benzylamine, 2-aminomethyl-SCHEMBL15247(1,2-Phenylene)dimethanamineSCHEMBL156993SCHEMBL1696970SCHEMBL10424373SCHEMBL17707241
Database identifiers
- CAS
17300-02-6- PubChem CID
- 431968
- DTXSID
DTXSID60330719- EC Number
- 605-656-7
- Nikkaji
- J153.455F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.3
Physicochemical properties
- Boiling point
- 133 · 133-135 °C(Press: 10 Torr)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.42 · 9.42±0.10(Predicted)
- form
- liquid
- Appearance
- Off-white to light brown Solid
- InChI
- 1S/C8H12N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,9-10H2
- InChIKey
- GKXVJHDEWHKBFH-UHFFFAOYSA-N
- SMILES
- NCc1ccccc1CN
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735PSN2 8 / PGII
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- Precautionary statements
- P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
4 records
Compound notes
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