Basic information
- CAS
172348-63-9- Standard SMILES
CC(C)(C)OC(=O)NCC1CCC(CO)CC1- InChIKey
KSXPGASLEFGROT-UHFFFAOYSA-N- Molecular formula
- C13H25NO3
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.18344366
Names & identifiers
- Preferred name
- tert-Butyl (trans-4-hydroxymethylcyclohexylmethyl)carbamate
- IUPAC
- tert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate
- English name
- trans-4-(Boc-aMinoMethyl)cyclohexaneMethanol, 97%
- Molecular formula
- C13H25NO3
- Molecular weight
- 243.34
Names & synonyms
172348-63-9tert-Butyl (trans-4-hydroxymethylcyclohexylmethyl)carbamatetert-Butyl (trans-4-hydroxymethylcyclohexylmethyl)-carbamatetert-Butyl ((trans-4-(hydroxymethyl)cyclohexyl)methyl)carbamatetert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamateMFCD06657666TRANS-4-BOC-AMINOMETHYL-1-HYDROXYMETHYL-CYCLOHEXANE[cis-4-[(Boc-amino)methyl]cyclohexyl]methanoltrans-4-[(Boc-amino)methyl]cyclohexanemethanol1018674-46-8180046-28-0tert-Butyl ((4-(hydroxymethyl)cyclohexyl)methyl)carbamate
Show more names
tert-Butyl (trans-4-hydroxymethylcyclohexyltrans-4-(Boc-aminomethyl)cyclohexanemethanol,97%trans-4-(Boc-aMinoMethyl)cyclohexaneMethanol, 97%trans-4-(Boc-aMinoMethyl)cyclohexaneMethanol, 97%Trans-4-N-BOC-aminomethyl-1-cyclohexanecarboxylic ethanolCarbamic acid, [[trans-4-(hydroxymethyl)cyclohexyl]methyl]-,...(4-Hydroxymethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester and Enantiomer
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 367.1 · 367.1±15.0 °C(Predicted)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 12.81 · 12.81±0.46(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers56 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
Related reactions
9 records
Compound notes
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