4-(1,4,5,6-Tetrahydropyrimidin-2-yl)aniline
Basic information
- CAS
129545-66-0- Standard SMILES
Nc1ccc(C2=NCCCN2)cc1- InChIKey
ZPDYCNXXQBVTQP-UHFFFAOYSA-N- Molecular formula
- C10H13N3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.11094743
Names & identifiers
- Preferred name
- 4-(1,4,5,6-Tetrahydropyrimidin-2-yl)aniline
- IUPAC
- 4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
- English name
- 4-(1,4,5,6-Tetrahydro-pyrimidin-2-yl)phenylamine
- Molecular formula
- C10H13N3
- Molecular weight
- 175.23
Names & synonyms
4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline129545-66-0DTXSID80601933RefChem:286624DTXCID005526904-(1,4,5,6-Tetrahydro-pyrimidin-2-yl)phenylamineSCHEMBL4035055SCHEMBL40350564-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYLAMINEZPDYCNXXQBVTQP-UHFFFAOYSA-NAKOS024015205BP-11351
Show more names
SALOR-INT L480797-1EABenzenamine, 4-(1,4,5,6-tetrahydro-2-pyrimidinyl)-
DB-105758ST512394684-(1,4,5,6-Tetrahydro-2-pyrimidinyl)benzenamine
Database identifiers
- CAS
129545-66-0- PubChem CID
- 20041375
- DTXSID
DTXSID80601933- EC Number
- 118-645-2
- Nikkaji
- J314.859I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 387.9 · 387.9±34.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 13.97 · 13.97±0.20(Predicted)
- HS Code
- 2933599590 · 2933599590
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933599590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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