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Calcium Hydroxyphosphate
CAS: 1306-06-5 | HCaO5P-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1306-06-5
Molecular Formula:
HCaO5P-4
Molecular Mass:
152.06 g/mol
Names and Synonyms:
Calcium Hydroxyphosphate
Hydroxylapatite (Ca5(OH)(PO4)3)
Hydroxylapatite
Monite
Supertite 10
Calcium hydroxyapatite
Hydroxyapatite
Tri-Tab
Durapatite
Apaceram
HAP-B
Synamel
Hy-Apatite
Interpore 500
Apatite
Interpore 200
Boneceram P
Bonfil
FKI
Apatite hydroxide (Ca10(PO4)6(OH)2)
APAFILL-G
AMDRY 6021
Win 40350
Alveograf
Ceratite
HA 300BP
HW 004
HA 200
Captal R
HW 004 (mineral)
Captal 90
HAP (mineral)
HAP
Captal
Hydroxypol
APP 600
HAP 08NP
PeriApatite
ProOsteon
Neobone
SP 1
Boneceram P-G 0
Boneceram P-G 1
Bone ject
Boneceram K
HAP-SC
HAP 300
Nukbone
Captal 30
Radiesse
HAP 15NP
Apapore
Actifuse
Cellyard-AX
Apaceram-AX
Captal 60-1
Coralina HAP 200
Engipore
Apatite HAP
CHT
Bongros
HAP 200
P 218R
Captal 30SD
CHT Typell
Apapore 60
Apa-micron PP
nano-SHAp-MHS 00405
Cellyard
HAP 100 (mineral)
HAP 100
Ostim 35
nanoXIM.TCP 202
nanoXIM.HAp 402
Sintlife
Micro-SHAp
IHM 100P000
Neo Active Apatite
Fin-Granule
Micro-SHAp IHM 100P000
GAP 85UD
Captal S
Hydroxyapatite C
BABI-HAP-N 100
Identifiers:
SMILES:
O=P([O-])([O-])[O-].[Ca].[OH-]
InChI:
InChI=1S/Ca.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/p-4
Key Properties
Melting Point
1500 °C
CAS Common Chemistry
Density
3.08 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.06 g/mol | CAS Common Chemistry |
| 152.055 g/mol | RDKit | |
| 151.92094506164003 g/mol | RDKit | |
| Density | 3.08 g/cm³ | CAS Common Chemistry |
| 3.076 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_hydroxyphosphate | CAS Common Chemistry |
| Canonical SMILES | [Ca].[OH-].O=P([O-])([O-])[O-] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=SNEQGKNGRFIHGW-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | 1500 °C | CAS Common Chemistry |
| Name | Hydroxylapatite (Ca5(OH)(PO4)3) | CAS Common Chemistry |
| Calcium hydroxyphosphate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 116.25 Ų | RDKit |
| LogP | -3.3822 | RDKit |
| Molar Refractivity | 15.296299999999999 | RDKit |
