HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Iem 2115

HCID 81481
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7005-53-0
Standard SMILES
NC1c2ccccc2CCc2ccccc21
InChIKey
KTADHXXSCNRJRT-UHFFFAOYSA-N
Molecular formula
C15H15N
Average molar mass
209.29 g/mol
Monoisotopic mass
209.12044948

Names & identifiers

Preferred name
Iem 2115
IUPAC
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine
English name
10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-amine
Molecular formula
C15H15N
Molecular weight
209.29

Names & synonyms

7005-53-05H-Dibenzo(a,d)cycloheptene-5-amine, 10,11-dihydro-DTXSID90220336RefChem:1087155Iem 2115DTXCID9014282710,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-AMINE10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-amineGK9DDW5H2Jtricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-amineNSC-88628
Show more names
5-Amino-10,11-dihydro-5H-dibenzo[a,d]cycloheptene5H-Dibenzo[a,d]cyclohepten-5-amine, 10,11-dihydro-6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-amine
5H-Dibenzo(a,d)cyclohepten-5-amine, 10,11-dihydro-10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-amineEINECS 230-280-1NSC 88628BRN 2111539NSC8862810,11-Dihydro-5H-dibenzol(a,d)cyclohepten-5-amineUNII-GK9DDW5H2J

Database identifiers

CAS
7005-53-0
PubChem CID
81481
DTXSID
DTXSID90220336
UNII
GK9DDW5H2J
EC Number
230-280-1
Nikkaji
J40.882D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
16
Formal charge
0
Complexity
214

Physicochemical properties

FDA UNII
9 DDW5H2J · GK9DDW5H2J

Chemistry & industry

Suppliers4 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]

Related reactions

6 records
New reaction record
HRID 126923 reaction equation
HRID 126923As reactantuspto-grants-1981_03
HRID 681462 reaction equation
HRID 681462As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1276625 reaction equation
HRID 1276625As reactantuspto-grants-2000_12
HRID 1276627 reaction equation
HRID 1276627As reactantuspto-grants-2000_12
HRID 1276628 reaction equation
HRID 1276628As reactantuspto-grants-2000_12
HRID 1276631 reaction equation
HRID 1276631As reactantuspto-grants-2000_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes