2,2-Dimethyl-2,3-dihydroperimidine
Basic information
- CAS
6364-17-6- Standard SMILES
CC1(C)Nc2cccc3cccc(c23)N1- InChIKey
DETLTZYXZWIXIB-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- 2,2-Dimethyl-2,3-dihydroperimidine
- IUPAC
- 2,2-dimethyl-1,3-dihydroperimidine
- English name
- 2,2-dimethyl-2,3-dihydro-1H-perimidine
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
6364-17-62,2-dimethyl-2,3-dihydro-1H-perimidine2,2-Dimethyl-2,3-dihydroperimidine2,3-Dihydro-2,2-dimethyl-1H-perimidine144C1ZSA7UDTXSID00733701H-Perimidine, 2,3-dihydro-2,2-dimethyl-NSC 88797NSC-88797EC 424-060-6RefChem:441278DTXCID0044028
Show more names
424-060-6684-662-12,2-dimethyl-1,3-dihydroperimidineNSC88797MLS002694859UNII-144C1ZSA7U1H-Perimidine,2,3-dihydro-2,2-dimethyl-NCIOpen2_001411
Database identifiers
- CAS
6364-17-6- PubChem CID
- 72628
- DTXSID
DTXSID0073370- ChEMBL
CHEMBL1868212- UNII
- 144C1ZSA7U
- EC Number
- 424-060-6、684-662-1
- Nikkaji
- J29.055F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 392.5 · 392.5±22.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- form
- Powder
- pka
- 4.16 · 4.16±0.40(Predicted)
- LogP
- 2.25 at · 2.25 at 20℃ and pH7.72-9.08
- FDA UNII
- 144 C1ZSA7U · 144C1ZSA7U
- EPA Substance Registry System
- 2 · 2,2-Dimethyl-2,3-dihydroperimidine (6364-17-6)
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H373-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P314-P501-P273-P391-P501
- TSCA
- TSCA listed
- REACH Registrations
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
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1H-Perimidine, 2,3-dihydro-2,2-dimethyl- (EC: 424-060-6)
1H-Perimidine, 2,3-dihydro-2,2-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Sens. 1 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07,GHS09
- Hazard statements
- H302-H317-H373-H410
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P314-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Perimidine, 2,3-dihydro-2,2-dimethyl-: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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