기본 정보
- CAS
556808-29-8- 표준 SMILES
CC(Np1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1)c1ccccc1- InChIKey
OXUOPBPAVLQNGC-UHFFFAOYSA-N- 분자식
- C28H22NO2P
- 평균 분자량
- 435.5 g/mol
- 단동위원소 질량
- 435.13881594
이름 및 식별자
- 우선 이름
- (S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
- IUPAC
- N-(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
- 영어명
- 3,4-a']dinaphthalen-4-yl)[(1S)-1-phenylethyl]-aMine
- 분자식
- C28H22NO2P
- 분자량
- 435.45
이름 및 동의어
422509-53-3(S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-amine556808-29-8N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine1258223-39-0(S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)[(1R)-1-phenylethyl]amine(11bS)-(S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine(11bS)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amineMFCD04117689N-(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amineDinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine,N-[(1S)-1-phenylethyl]-, (11bS)-
이름 더 보기
(11bS)-N-[(S)-1-Phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine(11bS)-N-[(1S)-1-phenylethyl]-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amineDinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, N-[(1S)-1-phenylethyl]-, (11bS)-(11bS)-N-[(S)-1-Phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3, 2]dioxaphosphepin-4-amine,99%e.e.(11bS)?-N-?[(S)?-?1-?Phenylethyl]?-dinaphtho[2,?1-?d:1',?2'-?f]?[1,?3,?2]?dioxaphosphepin-?4-?amine
3,4-a']dinaphthalen-4-yl)[(1R)-1-phenylethyl]-aMine3,4-a']dinaphthalen-4-yl)[(1S)-1-phenylethyl]-aMine(11bS)-N-[(1R)-1-Phenylethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine(11bR)N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amineSCHEMBL2853796(11bR)-N-[(R)-1-Phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine(11bR)-N-[(S)-1-Phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amineCS-W011615
데이터베이스 식별자
- CAS
556808-29-8- PubChem CID
- 53485854
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 585
물리화학적 성질
- 끓는 점
- 634.333 · 634.333±48.00 °C(Press: 760.00 Torr)(predicted)
- 산도 계수 (pKa)
- 0.975 · 0.975±0.20(predicted)
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