3-Azido-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

HCID 10932520CAS 86499-24-3
Substructure searchFind similar structures

Basic information

Standard SMILES
[N-]=[N+]=NC1CCc2ccccc2NC1=O
InChIKey
PDFYKDYEFKYENU-UHFFFAOYSA-N
Molecular formula
C10H10N4O
Average molar mass
202.21 g/mol
Monoisotopic mass
202.08546094

Names & identifiers

Preferred name
3-Azido-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC
3-azido-1,3,4,5-tetrahydro-1-benzazepin-2-one
English name
3-AZIDO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE
Molecular formula
C10H10N4O
Molecular weight
202.21

Names & synonyms

86499-24-33-azido-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one3-azido-2,3,4,5-tetrahydro-1H-1-benzazepin-2-oneDTXSID00448802RefChem:497898DTXCID00399623975-226-43-azido-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepineMFCD034261153-azido-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one3-AZIDO-1,3,4,5-TETRAHYDRO-1-BENZAZEPIN-2-ONESCHEMBL14537420
Show more names
3-Azido-1,3,4,5-tetrahydro-2H-1-benzazepine-2-one2H-1-Benzazepin-2-one, 3-azido-1,3,4,5-tetrahydro-
PDFYKDYEFKYENU-UHFFFAOYSA-NCS-B0542LDA49924AKOS015995182CS-14126SY531625EN300-278179F787847

Database identifiers

CAS
86499-24-3
PubChem CID
10932520
DTXSID
DTXSID00448802
EC Number
975-226-4
Nikkaji
J1.821.384B

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
43.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
150 · 150-151 °C
storage temp.
-20 °C, · -20°C, stored under nitrogen
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P301+P316, P319, P321, P330, 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 CategoriesAcute Tox. 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers9 total

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海相辉医药科技有限公司[email protected]

Related reactions

29 records
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Linked notes

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