CAS
9-8-7623 Purity
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9-8-7623 Purity
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trans-(6-Amino-cyclohex-3-enyl)-methanol
CAS
98769-57-4
Catalog Number
ACM98769574
Category
Other Products
Molecular Weight
127.18
Molecular Formula
C7H13NO
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Specification
Synonyms
trans-(6-Amino-cyclohex-3-enyl)-methanol, 98769-57-4, CTK8G3537, AKOS006281657, AB49838, AG-L-66961
IUPAC Name
[(1R,6R)-6-aminocyclohex-3-en-1-yl]methanol
Canonical SMILES
C1C=CCC(C1CO)N
InChI Key
SZLMSKCXLLFJEI-NKWVEPMBSA-N
Boiling Point
209.319ºC at 760 mmHg
Flash Point
80.393ºC
Density
1.01g/cm³
Exact Mass
127.10000
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of trans-(6-Amino-cyclohex-3-enyl)-methanol?
The molecular formula is C7H13NO.
When was trans-(6-Amino-cyclohex-3-enyl)-methanol first created in PubChem?
It was first created on 2007-02-08.
What is the computed IUPAC name of trans-(6-Amino-cyclohex-3-enyl)-methanol?
The computed IUPAC name is [(1R,6R)-6-aminocyclohex-3-en-1-yl]methanol.
What is the InChIKey of trans-(6-Amino-cyclohex-3-enyl)-methanol?
The InChIKey is SZLMSKCXLLFJEI-NKWVEPMBSA-N.
How many hydrogen bond donor counts are there in trans-(6-Amino-cyclohex-3-enyl)-methanol?
There are 2 hydrogen bond donor counts.
What is the exact mass of trans-(6-Amino-cyclohex-3-enyl)-methanol?
The exact mass is 127.099714038 g/mol.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the XLogP3-AA value of trans-(6-Amino-cyclohex-3-enyl)-methanol?
The XLogP3-AA value is 0.6.
How many defined atom stereocenter counts are in trans-(6-Amino-cyclohex-3-enyl)-methanol?
There are 2 defined atom stereocenter counts.
What is the topological polar surface area of trans-(6-Amino-cyclohex-3-enyl)-methanol?
The topological polar surface area is 46.2 Ų.
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