8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

HCID 4615168

Notes Reactions

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Basic information

CAS: 22246-76-0
Standard SMILES: Nc1ccc2c(c1)NC(=O)CCC2
InChIKey: XRJMPABWIZHNQA-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.094963

Names & identifiers

Preferred name: 8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC: 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
English name: 8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE
Molecular formula: C10H12N2O
Molecular weight: 176.22

Names & synonyms

22246-76-08-AMINO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE8-amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-oneDTXSID50404913RefChem:547539DTXCID80355767676-120-88-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one8-amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one8-Amino-1,3,4,5-tetrahydrobenzo[b]azepin-2-one8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-oneMFCD04038431

Show more names

Compound FL01202H-1-Benzazepin-2-one8-AMino-1,3,4,5-tetrahydr...8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE8-amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one2H-1-Benzazepin-2-one, 8-amino-1,3,4,5-tetrahydro-

DS-15578-amino-1,3,4,5-tetrahydrobenzobazepine-2-oneSCHEMBL995002orb3169879SCHEMBL1046519XRJMPABWIZHNQA-UHFFFAOYSA-NFL0120AKOS006293664

Database identifiers

CAS: 22246-76-0
PubChem CID: 4615168
DTXSID: DTXSID50404913
EC Number: 676-120-8

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 205

Physicochemical properties

Boiling point: 409 ℃ · 409℃
Density: 1.184 · 1.184
Flash point: 201 ℃ · 201℃
storage temp.: 2 · 2-8°C(protect from light)
pka: 14.83 · 14.83±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Suppliers63 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

Related reactions

59 records

New reaction record

HRID 108851As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 153590As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168306As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 288979As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 303753As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 310304As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 689048As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 690490As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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