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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19063674Generated: October 23, 2026

tert-Butyl 7-amino-1H-indazole-1-carboxylate

1-Boc-1H-indazol-7-amine · Belumosudil Mesylate Impurity 107 · 1H-Indazole-1-carboxylic acid, 7-aMino-, 1,1-diMethylethyl e... · 1H-Indazole-1-carboxylic acid, 7-aMino-, 1,1-diMethylethyl ester

https://huagongshe.com/en/chemical/19063674

tert-Butyl 7-amino-1H-indazole-1-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.173459-53-5
Molecular formulaC12H15N3O2
Average molar mass233.27 g/mol
Monoisotopic mass233.11642672 g/mol
SMILESCC(C)(C)OC(=O)n1ncc2cccc(N)c21
InChIKeyHNOIGXWKRHPKMS-UHFFFAOYSA-N
PubChem CID19063674
EC No.110-777-9
DTXSIDDTXSID30597736

Chemical & Physical Properties

XLogP2.2
Topological polar surface area70.1
Hydrogen bond donors1
Hydrogen bond acceptors4
Rotatable bonds2
Heavy atoms17
Formal charge0
Complexity301
Boiling point395.3±34.0 °C(Predicted)
Density1.24±0.1 g/cm3(Predicted)
Storage conditions2-8°C, protect from light
pKa (acidity coefficient)2.95±0.10(Predicted)
Physical statesolid
AppearanceYellow to orange Solid
InChI1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-8(7-14-15)5-4-6-9(10)13/h4-7H,13H2,1-3H3
InChIKeyHNOIGXWKRHPKMS-UHFFFAOYSA-N
SMILESNC1=C2C(C=NN2C(OC(C)(C)C)=O)=CC=C1
UNSPSC Code12352200
NACRESNA.21
GHS pictogramGHS06
Signal wordDanger
GHS hazard statementsH301-H311-H331
GHS precautionary statementsP261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Customs code2933998090
Storage class11 - Combustible Solids
Hazard classAcute Tox. 4 Oral

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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 Classes and CategoriesAcute Tox. 4 (100%)
Customs code2933998090
Signal wordDanger
GHS pictogramGHS06
Storage class11 - Combustible Solids
GHS hazard statementsH301-H311-H331
Hazard classAcute Tox. 4 Oral
GHS precautionary statementsP261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501