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4-[(Acetylamino)methyl]cyclohexanecarboxylic acid

HCID 82653
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
10473-24-2
Standard SMILES
CC(=O)NCC1CCC(C(=O)O)CC1
InChIKey
IFYATEIGOYKKKS-UHFFFAOYSA-N
Molecular formula
C10H17NO3
Average molar mass
199.25 g/mol
Monoisotopic mass
199.1208434

Names & identifiers

Preferred name
4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
IUPAC
4-(acetamidomethyl)cyclohexane-1-carboxylic acid
English name
4-[(acetylamino)methyl]cyclohexanecarboxylic acid
Molecular formula
C10H17NO3
Molecular weight
199.25

Names & synonyms

10473-24-24-((Acetylamino)methyl)cyclohexanecarboxylic acid4-[(ACETYLAMINO)METHYL]CYCLOHEXANECARBOXYLIC ACIDEINECS 233-965-3DTXSID30146687RefChem:96879DTXCID5069178233-965-320704-66-9TRANS-4-(ACETAMIDOMETHYL)CYCLOHEXANECARBOXYLIC ACID4-(acetamidomethyl)cyclohexane-1-carboxylic acid4-(acetamidomethyl)cyclohexanecarboxylic acid
Show more names
Tranexamic acid impurity ITranexamic Acid Impurity 38
trans-4(Acetamidomethyl)cyclohexanecarboxylic acid7K9BQX3B2E(1R,4R)-4-(ACETAMIDOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACIDCyclohexanecarboxylicacid, 4-[(acetylamino)methyl]-MFCD00626152cis-4-(N-Acetylaminomethyl)-1-cyclohexanecarboxylic acid20704-65-8UNII-7K9BQX3B2E

Database identifiers

CAS
10473-24-2、20704-65-8
PubChem CID
82653
DTXSID
DTXSID30146687
UNII
7K9BQX3B2E
EC Number
233-965-3
Nikkaji

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
219

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Tranexamic acid

Physicochemical properties

Boiling point
431.7 · 431.7±18.0 °C(Predicted)
Density
1.114 · 1.114±0.06 g/cm3(Predicted)
pka
4.84 · 4.84±0.10(Predicted)

Chemistry & industry

Suppliers10 total

成都市久鼎化学技术有限公司18584079237 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
深圳市恒丰万达医药科技有限公司18126517264 · [email protected]
ShenZhen H&D Pharmaceutical Technology Co., LTD+86-18627948422 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]

Related reactions

1 records
New reaction record
HRID 144117 reaction equation
HRID 144117As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
J212.412B